Isoniazid Details

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Physical and Chemical properties

PUBCHEM ID	3767
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	137.139
Molecular Formula	C6H7N3O
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
IUPAC Name	pyridine-4-carbohydrazide
Canonical SMILES	NNC(=O)c1ccncc1
PUBCHEM IUPAC INCHIKEY	QRXWMOHMRWLFEY-UHFFFAOYSA-N
Solubility Level	4
Vapour Pressure	-4.647

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	68
BBB Level	3
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	-0.811
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.503305 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	None
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				54-85-3	Isoniazid

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Mulethi	Mishri	Glucyrrhiza glabra mulethi