[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H15NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H15NO7
Smiles	[O-][N+](c1cc(/C=C/C(c(cc2)ccc2OC(c(cc2)cc3c2OCO3)=O)=O)ccc1)=O
InChI	InChI=1S/C23H15NO7/c25-20(10-4-15-2-1-3-18(12-15)24(27)28)16-5-8-19(9-6-16)31-23(26)17-7-11-21-22(13-17)30-14-29-21/h1-13H,14H2
InChIK	CMYZRBPTHWQMEO-UHFFFAOYSA-N
TotalMolweight	417.372
Molweight	417.372
MonoisotopicMass	417.084854
CLogP	3.9241
CLogS	-6.481
H Acceptors	8
TotalSurfaceArea	308.71
Relative PSA	0.2802
PolarSurfaceArea	107.65
Druglikeness	-4.9361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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