2-[[2-[(Z)-benzylideneamino]oxyacetyl]-[(4-bromophenyl)methyl]amino]benzoic acid

Formula:C23H19N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(Z)-benzylideneamino]oxyacetyl]-[(4-bromophenyl)methyl]amino]benzoic acid is not a drug-like molecule.

MolName	2-[[2-[(Z)-benzylideneamino]oxyacetyl]-[(4-bromophenyl)methyl]amino]benzoic acid
MolecularFormula	C23H19N2O4Br
Smiles	OC(c(cccc1)c1N(Cc(cc1)ccc1Br)C(CO/N=C\c1ccccc1)=O)=O
InChI	InChI=1S/C23H19BrN2O4/c24-19-12-10-18(11-13-19)15-26(21-9-5-4-8-20(21)23(28)29)22(27)16-30-25-14-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,28,29)
InChIK	IRMAKZMXSSJJAR-UHFFFAOYSA-N
TotalMolweight	467.318
Molweight	467.318
MonoisotopicMass	466.052819
CLogP	5.0878
CLogS	-5.739
H Acceptors	6
H Donors	1
TotalSurfaceArea	325.84
Relative PSA	0.19715
PolarSurfaceArea	79.2
Druglikeness	1.9688
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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