2-(4-chlorophenoxy)-N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]acetamide

Formula:C17H13N6O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(4-chlorophenoxy)-N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-chlorophenoxy)-N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]acetamide
MolecularFormula	C17H13N6O4ClS
Smiles	[O-][N+](c(cc(/C=N\NC(COc(cc1)ccc1Cl)=O)cc1)c1Sc1ncn[nH]1)=O
InChI	InChI=1S/C17H13ClN6O4S/c18-12-2-4-13(5-3-12)28-9-16(25)22-20-8-11-1-6-15(14(7-11)24(26)27)29-17-19-10-21-23-17/h1-8,10H,9H2,(H,22,25)(H,19,21,23)
InChIK	CGBSSNGKFNKHOW-UHFFFAOYSA-N
TotalMolweight	432.847
Molweight	432.847
MonoisotopicMass	432.040751
CLogP	2.294
CLogS	-5.202
H Acceptors	10
H Donors	2
TotalSurfaceArea	314.18
Relative PSA	0.4133
PolarSurfaceArea	163.38
Druglikeness	-0.16666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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