(E)-3-(5-bromonaphthalen-1-yl)prop-2-enoic acid

Formula:C13H9O2Br Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(5-bromonaphthalen-1-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(5-bromonaphthalen-1-yl)prop-2-enoic acid
MolecularFormula	C13H9O2Br
Smiles	OC(/C=C/c1c(cccc2Br)c2ccc1)=O
InChI	InChI=1S/C13H9BrO2/c14-12-6-2-4-10-9(7-8-13(15)16)3-1-5-11(10)12/h1-8H,(H,15,16)
InChIK	DPHVBFWKOBBBDK-UHFFFAOYSA-N
TotalMolweight	277.116
Molweight	277.116
MonoisotopicMass	275.978591
CLogP	3.3935
CLogS	-4.439
H Acceptors	2
H Donors	1
TotalSurfaceArea	177.09
Relative PSA	0.14761
PolarSurfaceArea	37.3
Druglikeness	-1.6225
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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