Molecule

ID:77520

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO
Molecular Mass
154.59358
Exact Mass
154.01854252
Charge
0
InChI
InChI=1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
InChIKey
YVMKRPGFBQGEBF-QMMMGPOBSA-N
Canonic Smiles
Clc1cccc(c1)[C@@H]1CO1
Isomeric Smiles
O1C[C@H]1c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3413093
LogD (pH = 7.4)
2.3413093
Log P
2.3413093
Molar Refractivity
40.1311
Polarizability
15.834716
Polar Surface Area
12.53
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
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Molecule Details
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References
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Bioactivity
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