N-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2,4-dichlorobenzamide

Formula:C11H10N6OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2,4-dichlorobenzamide is a drug-like molecule.

MolName	N-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2,4-dichlorobenzamide
MolecularFormula	C11H10N6OCl2
Smiles	N/C(/Cn1ncnc1)=N/NC(c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C11H10Cl2N6O/c12-7-1-2-8(9(13)3-7)11(20)18-17-10(14)4-19-6-15-5-16-19/h1-3,5-6H,4H2,(H2,14,17)(H,18,20)
InChIK	VOKJNQXPLXPALN-UHFFFAOYSA-N
TotalMolweight	313.147
Molweight	313.147
MonoisotopicMass	312.029313
CLogP	1.0008
CLogS	-3.569
H Acceptors	7
H Donors	2
TotalSurfaceArea	225.04
Relative PSA	0.35589
PolarSurfaceArea	98.19
Druglikeness	5.6123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	3
StereoCon

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