(E)-3-(naphthalen-1-ylamino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C28H19N3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(naphthalen-1-ylamino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(naphthalen-1-ylamino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C28H19N3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\Nc1cccc2ccccc12
InChI	InChI=1S/C28H19N3S/c29-17-24(18-30-26-12-6-10-22-9-4-5-11-25(22)26)28-31-27(19-32-28)23-15-13-21(14-16-23)20-7-2-1-3-8-20/h1-16,18-19,30H
InChIK	DXWDALHFEDHRRY-UHFFFAOYSA-N
TotalMolweight	429.546
Molweight	429.546
MonoisotopicMass	429.129967
CLogP	5.9372
CLogS	-8.075
H Acceptors	3
H Donors	1
TotalSurfaceArea	339.72
Relative PSA	0.16587
PolarSurfaceArea	76.95
Druglikeness	-1.6749
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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