1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid

Formula:C16H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid is a drug-like molecule.

MolName	1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid
MolecularFormula	C16H15N2O4Br
Smiles	OC(C(CC1)CCN1/C=C1\N=C(c(cccc2)c2Br)OC1=O)=O
InChI	InChI=1S/C16H15BrN2O4/c17-12-4-2-1-3-11(12)14-18-13(16(22)23-14)9-19-7-5-10(6-8-19)15(20)21/h1-4,9-10H,5-8H2,(H,20,21)
InChIK	VGEKDCDOHIBVQN-UHFFFAOYSA-N
TotalMolweight	379.209
Molweight	379.209
MonoisotopicMass	378.021519
CLogP	1.1715
CLogS	-3.421
H Acceptors	6
H Donors	1
TotalSurfaceArea	242.26
Relative PSA	0.26517
PolarSurfaceArea	79.2
Druglikeness	2.0001
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid | 2 - 1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid

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