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

Formula:C24H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(4-nitrophenyl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C24H15N3O3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Oc2ccccc2)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C24H15N3O3S/c25-15-19(14-17-6-10-20(11-7-17)27(28)29)24-26-23(16-31-24)18-8-12-22(13-9-18)30-21-4-2-1-3-5-21/h1-14,16H
InChIK	RGIHAHHMWXRGMK-UHFFFAOYSA-N
TotalMolweight	425.467
Molweight	425.467
MonoisotopicMass	425.083412
CLogP	4.3869
CLogS	-7.194
H Acceptors	6
TotalSurfaceArea	327.33
Relative PSA	0.26062
PolarSurfaceArea	119.97
Druglikeness	-6.8179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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