(E)-3-(naphthalen-2-ylamino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C25H14N4O4S Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-(naphthalen-2-ylamino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(naphthalen-2-ylamino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H14N4O4S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)cs1)=C\Nc1cc2ccccc2cc1
InChI	InChI=1S/C25H14N4O4S/c26-12-18(13-27-19-6-5-15-3-1-2-4-16(15)9-19)24-28-22(14-34-24)21-11-17-10-20(29(31)32)7-8-23(17)33-25(21)30/h1-11,13-14,27H
InChIK	GNICYVCBAFACOX-UHFFFAOYSA-N
TotalMolweight	466.476
Molweight	466.476
MonoisotopicMass	466.073576
CLogP	2.7532
CLogS	-6.406
H Acceptors	8
H Donors	1
TotalSurfaceArea	342.59
Relative PSA	0.32053
PolarSurfaceArea	149.07
Druglikeness	-6.1121
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-(naphthalen-2-ylamino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(naphthalen-2-ylamino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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