(E)-3-(2-hydroxynaphthalen-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Formula:C19H13NO4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2-hydroxynaphthalen-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-hydroxynaphthalen-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C19H13NO4
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c(c1ccccc1cc1)c1O)=O)=O
InChI	InChI=1S/C19H13NO4/c21-18(14-5-8-15(9-6-14)20(23)24)12-10-17-16-4-2-1-3-13(16)7-11-19(17)22/h1-12,22H
InChIK	IATWJBXMYUEPMS-UHFFFAOYSA-N
TotalMolweight	319.315
Molweight	319.315
MonoisotopicMass	319.084459
CLogP	3.2309
CLogS	-5.61
H Acceptors	5
H Donors	1
TotalSurfaceArea	241.89
Relative PSA	0.23383
PolarSurfaceArea	83.12
Druglikeness	-5.005
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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