N-[(E)-[(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-enylidene]amino]-2,4-dinitroaniline

Formula:C17H12N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-enylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-[(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-enylidene]amino]-2,4-dinitroaniline
MolecularFormula	C17H12N4O5S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\C=C\c1cccs1)/c1ccco1)=O
InChI	InChI=1S/C17H12N4O5S/c22-20(23)12-5-7-14(16(11-12)21(24)25)18-19-15(17-4-1-9-26-17)8-6-13-3-2-10-27-13/h1-11,18H
InChIK	DPUCZUOWSHGZNS-UHFFFAOYSA-N
TotalMolweight	384.371
Molweight	384.371
MonoisotopicMass	384.052841
CLogP	3.7639
CLogS	-5.661
H Acceptors	9
H Donors	1
TotalSurfaceArea	286.68
Relative PSA	0.41259
PolarSurfaceArea	157.41
Druglikeness	-2.1886
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-[(E)-[(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-enylidene]amino]-2,4-dinitroaniline | 2 - N-[(E)-[(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-enylidene]amino]-2,4-dinitroaniline

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