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

Formula:C11H9N5O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate
MolecularFormula	C11H9N5O2Cl2
Smiles	N/C(/Cn1ncnc1)=N/OC(c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C11H9Cl2N5O2/c12-7-1-2-8(9(13)3-7)11(19)20-17-10(14)4-18-6-15-5-16-18/h1-3,5-6H,4H2,(H2,14,17)
InChIK	UIXCRPZRFSCPIK-UHFFFAOYSA-N
TotalMolweight	314.131
Molweight	314.131
MonoisotopicMass	313.013329
CLogP	1.7173
CLogS	-3.619
H Acceptors	7
H Donors	1
TotalSurfaceArea	223.58
Relative PSA	0.35169
PolarSurfaceArea	95.39
Druglikeness	1.2421
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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1 - [(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate | 2 - [(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate

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