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

Formula:C18H14N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C18H14N3O6Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCC(O)=O)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C18H14BrN3O6/c19-13-6-4-12(5-7-13)17(25)21-15(18(26)20-10-16(23)24)9-11-2-1-3-14(8-11)22(27)28/h1-9H,10H2,(H,20,26)(H,21,25)(H,23,24)
InChIK	WADNAZQUZBWYQB-UHFFFAOYSA-N
TotalMolweight	448.228
Molweight	448.228
MonoisotopicMass	447.006598
CLogP	1.6487
CLogS	-4.435
H Acceptors	9
H Donors	3
TotalSurfaceArea	296.31
Relative PSA	0.35625
PolarSurfaceArea	141.32
Druglikeness	-8.3493
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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

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