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

Formula:C16H12NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-2-hydroxybenzoic acid is a drug-like molecule.

MolName	4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-2-hydroxybenzoic acid
MolecularFormula	C16H12NO4Br
Smiles	OC(c(ccc(N/C=C/C(c(cc1)ccc1Br)=O)c1)c1O)=O
InChI	InChI=1S/C16H12BrNO4/c17-11-3-1-10(2-4-11)14(19)7-8-18-12-5-6-13(16(21)22)15(20)9-12/h1-9,18,20H,(H,21,22)
InChIK	JOGGYQBEYSWCLI-UHFFFAOYSA-N
TotalMolweight	362.178
Molweight	362.178
MonoisotopicMass	360.99497
CLogP	2.3391
CLogS	-4.337
H Acceptors	5
H Donors	3
TotalSurfaceArea	237.81
Relative PSA	0.26803
PolarSurfaceArea	86.63
Druglikeness	-1.3147
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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