[(Z)-[amino-(5-nitrothiophen-3-yl)methylidene]amino] N-(4-chlorophenyl)carbamate

Formula:C12H9N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[amino-(5-nitrothiophen-3-yl)methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.

MolName	[(Z)-[amino-(5-nitrothiophen-3-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
MolecularFormula	C12H9N4O4ClS
Smiles	N/C(/c1csc([N+]([O-])=O)c1)=N\OC(Nc(cc1)ccc1Cl)=O
InChI	InChI=1S/C12H9ClN4O4S/c13-8-1-3-9(4-2-8)15-12(18)21-16-11(14)7-5-10(17(19)20)22-6-7/h1-6H,(H2,14,16)(H,15,18)
InChIK	XXKWFJVXSGVNRV-UHFFFAOYSA-N
TotalMolweight	340.746
Molweight	340.746
MonoisotopicMass	340.003303
CLogP	2.7244
CLogS	-5.298
H Acceptors	8
H Donors	2
TotalSurfaceArea	238.75
Relative PSA	0.46936
PolarSurfaceArea	150.77
Druglikeness	-9.7965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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