N-[(Z)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]-3,4-dinitroaniline

Formula:C17H12N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]-3,4-dinitroaniline is a drug-like molecule.

MolName	N-[(Z)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]-3,4-dinitroaniline
MolecularFormula	C17H12N4O4S2
Smiles	[O-][N+](c(ccc(N/N=C(/C=C/c1cccs1)\c1cccs1)c1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C17H12N4O4S2/c22-20(23)15-8-5-12(11-16(15)21(24)25)18-19-14(17-4-2-10-27-17)7-6-13-3-1-9-26-13/h1-11,18H
InChIK	OICCTPAKXVYALS-UHFFFAOYSA-N
TotalMolweight	400.438
Molweight	400.438
MonoisotopicMass	400.029996
CLogP	4.4418
CLogS	-5.989
H Acceptors	8
H Donors	1
TotalSurfaceArea	292.93
Relative PSA	0.42512
PolarSurfaceArea	172.51
Druglikeness	-1.8354
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]-3,4-dinitroaniline | 2 - N-[(Z)-[(E)-1,3-dithiophen-2-ylprop-2-enylidene]amino]-3,4-dinitroaniline

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