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

Formula:C15H11N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C15H11N3O2S
Smiles	N#C/C(/c1nc(C2CC2)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C15H11N3O2S/c16-8-12(15-17-14(9-21-15)11-3-4-11)7-10-1-5-13(6-2-10)18(19)20/h1-2,5-7,9,11H,3-4H2
InChIK	PZDYZOBOEJSNRW-UHFFFAOYSA-N
TotalMolweight	297.337
Molweight	297.337
MonoisotopicMass	297.057197
CLogP	2.4059
CLogS	-4.1
H Acceptors	5
TotalSurfaceArea	224.33
Relative PSA	0.33571
PolarSurfaceArea	110.74
Druglikeness	-6.1256
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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