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

Formula:C25H20N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid is not a drug-like molecule.

MolName	2-[[(E)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C25H20N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NC(Cc2ccccc2)C(O)=O)=O)/NC(c2cccc(Br)c2)=O)c1)=O
InChI	InChI=1S/C25H20BrN3O6/c26-19-10-5-9-18(15-19)23(30)27-21(14-17-8-4-11-20(12-17)29(34)35)24(31)28-22(25(32)33)13-16-6-2-1-3-7-16/h1-12,14-15,22H,13H2,(H,27,30)(H,28,31)(H,32,33)/t22-/m0/s1
InChIK	LHUZZSXVVCBPQW-QFIPXVFZSA-N
TotalMolweight	538.353
Molweight	538.353
MonoisotopicMass	537.053548
CLogP	3.4499
CLogS	-5.948
H Acceptors	9
H Donors	3
TotalSurfaceArea	368.57
Relative PSA	0.2864
PolarSurfaceArea	141.32
Druglikeness	-14.527
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
StereoCenters	1
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[[(E)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-2-[(3-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid

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