2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoic acid

Formula:C16H12NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoic acid
MolecularFormula	C16H12NO3Br
Smiles	OC(c(cccc1)c1N/C=C/C(c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C16H12BrNO3/c17-12-7-5-11(6-8-12)15(19)9-10-18-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,20,21)
InChIK	DRIGQYPWMVCQDZ-UHFFFAOYSA-N
TotalMolweight	346.179
Molweight	346.179
MonoisotopicMass	345.000055
CLogP	2.6848
CLogS	-4.633
H Acceptors	4
H Donors	2
TotalSurfaceArea	231.46
Relative PSA	0.21879
PolarSurfaceArea	66.4
Druglikeness	-1.3147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoic acid | 2 - 2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoic acid

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