Molecule

ID:57154

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO
Molecular Mass
180.63086
Exact Mass
180.03419259
Charge
0
InChI
InChI=1S/C10H9ClO/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKey
ARGVABDJPRRAQI-VOTSOKGWSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccc(cc1)C
Isomeric Smiles
C(=O)(/C=C/c1ccc(C)cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1828372
LogD (pH = 7.4)
3.1828372
Log P
3.1828372
Molar Refractivity
51.9596
Polarizability
19.3696
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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