Molecule

ID:87191

General Information
Structure
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Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
InChIKey
DVKVZPIRWWREJC-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(O)ccc1Cl
Isomeric Smiles
Clc1c(cc(cc1)O)CC
Calculated Properties
JChem
Acid pKa
9.066299
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2315981
LogD (pH = 7.4)
3.2225058
Log P
3.2317152
Molar Refractivity
42.4859
Polarizability
16.395077
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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