(E)-3-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H10N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N4O4S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H10N4O4S/c19-10-14(8-12-4-6-15(7-5-12)21(23)24)18-20-17(11-27-18)13-2-1-3-16(9-13)22(25)26/h1-9,11H
InChIK	CQWJUJFFMKOLBV-UHFFFAOYSA-N
TotalMolweight	378.367
Molweight	378.367
MonoisotopicMass	378.042276
CLogP	2.0697
CLogS	-5.357
H Acceptors	8
TotalSurfaceArea	281.24
Relative PSA	0.37594
PolarSurfaceArea	156.56
Druglikeness	-6.7995
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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