(1,3-dioxoisoindol-2-yl)methyl (Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate

Formula:C25H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1,3-dioxoisoindol-2-yl)methyl (Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	(1,3-dioxoisoindol-2-yl)methyl (Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C25H17N3O7
Smiles	[O-][N+](c1cc(/C=C(/C(OCN(C(c2c3cccc2)=O)C3=O)=O)\NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C25H17N3O7/c29-22(17-8-2-1-3-9-17)26-21(14-16-7-6-10-18(13-16)28(33)34)25(32)35-15-27-23(30)19-11-4-5-12-20(19)24(27)31/h1-14H,15H2,(H,26,29)
InChIK	YUKIFQVJPDOEAO-UHFFFAOYSA-N
TotalMolweight	471.424
Molweight	471.424
MonoisotopicMass	471.106652
CLogP	3.1161
CLogS	-5.732
H Acceptors	10
H Donors	1
TotalSurfaceArea	344.18
Relative PSA	0.3126
PolarSurfaceArea	138.6
Druglikeness	-1.5497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	7
Amides	2
AcidicOxygens	1
StereoCon

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