3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C19H16N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C19H16N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCC(O)=O)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C19H16BrN3O6/c20-14-6-4-13(5-7-14)18(26)22-16(19(27)21-9-8-17(24)25)11-12-2-1-3-15(10-12)23(28)29/h1-7,10-11H,8-9H2,(H,21,27)(H,22,26)(H,24,25)
InChIK	PDPDDQZCUMFGGG-UHFFFAOYSA-N
TotalMolweight	462.255
Molweight	462.255
MonoisotopicMass	461.022248
CLogP	2.1031
CLogS	-4.705
H Acceptors	9
H Donors	3
TotalSurfaceArea	310.07
Relative PSA	0.34044
PolarSurfaceArea	141.32
Druglikeness	-3.3386
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

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