2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid

Formula:C25H21N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C25H21N3O6
Smiles	[O-][N+](c1cc(/C=C(\C(NC(Cc2ccccc2)C(O)=O)=O)/NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C25H21N3O6/c29-23(19-11-5-2-6-12-19)26-21(16-18-10-7-13-20(14-18)28(33)34)24(30)27-22(25(31)32)15-17-8-3-1-4-9-17/h1-14,16,22H,15H2,(H,26,29)(H,27,30)(H,31,32)/t22-/m0/s1
InChIK	DBMVHOIRWKBMNQ-QFIPXVFZSA-N
TotalMolweight	459.457
Molweight	459.457
MonoisotopicMass	459.143037
CLogP	2.7247
CLogS	-5.114
H Acceptors	9
H Donors	3
TotalSurfaceArea	349.94
Relative PSA	0.30165
PolarSurfaceArea	141.32
Druglikeness	-12.737
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon	racemate

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