Molecule
ID:56635
General Information
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3
InChIKey
JXHHNJORXBXRBY-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)C(=O)Cl
Isomeric Smiles
C(=O)(c1cc(OCCC)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8858175
LogD (pH = 7.4)
2.8858175
Log P
2.8858175
Molar Refractivity
52.9085
Polarizability
20.284592
Polar Surface Area
26.3
Rotatable Bonds
4
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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