[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate

Formula:C24H17NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C24H17NO5
Smiles	[O-][N+](c1cc(/C=C/C(c(cc2)ccc2OC(/C=C/c2ccccc2)=O)=O)ccc1)=O
InChI	InChI=1S/C24H17NO5/c26-23(15-9-19-7-4-8-21(17-19)25(28)29)20-11-13-22(14-12-20)30-24(27)16-10-18-5-2-1-3-6-18/h1-17H
InChIK	RYRMFHXRGSZPAE-UHFFFAOYSA-N
TotalMolweight	399.401
Molweight	399.401
MonoisotopicMass	399.110674
CLogP	4.1419
CLogS	-6.14
H Acceptors	6
TotalSurfaceArea	314.95
Relative PSA	0.21114
PolarSurfaceArea	89.19
Druglikeness	-7.4235
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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