[(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate

Formula:C14H10N3O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate is a drug-like molecule.

MolName	[(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate
MolecularFormula	C14H10N3O4ClS
Smiles	N/C(/c(cc1)ccc1Cl)=N/OC(/C=C/c1csc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C14H10ClN3O4S/c15-11-4-2-10(3-5-11)14(16)17-22-13(19)6-1-9-7-12(18(20)21)23-8-9/h1-8H,(H2,16,17)
InChIK	MWJCSWDHPKLVCF-UHFFFAOYSA-N
TotalMolweight	351.769
Molweight	351.769
MonoisotopicMass	351.008054
CLogP	3.0597
CLogS	-5.152
H Acceptors	7
H Donors	1
TotalSurfaceArea	253.79
Relative PSA	0.39639
PolarSurfaceArea	138.74
Druglikeness	-7.6216
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-(5-nitrothiophen-3-yl)prop-2-enoate

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