2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid

Formula:C17H13O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
MolecularFormula	C17H13O4Br
Smiles	OC(COc1ccc(/C=C/C(c(cc2)ccc2Br)=O)cc1)=O
InChI	InChI=1S/C17H13BrO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)
InChIK	BGYMCUUZTHQXRE-UHFFFAOYSA-N
TotalMolweight	361.19
Molweight	361.19
MonoisotopicMass	359.999721
CLogP	3.089
CLogS	-4.467
H Acceptors	4
H Donors	1
TotalSurfaceArea	243.76
Relative PSA	0.20176
PolarSurfaceArea	63.6
Druglikeness	-1.3326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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