Molecule
ID:18377
General Information
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H16ClNO2/c1-10-14(13(17)9-15)11-5-3-4-6-12(11)16(10)7-8-18-2/h3-6H,7-9H2,1-2H3
InChIKey
LNRSTBUATZADPY-UHFFFAOYSA-N
Canonic Smiles
COCCn1c2ccccc2c(c1C)C(=O)CCl
Isomeric Smiles
c1(c(n(c2c1cccc2)CCOC)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.111785
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.543261
LogD (pH = 7.4)
2.543261
Log P
2.543261
Molar Refractivity
73.3904
Polarizability
28.984869
Polar Surface Area
31.23
Rotatable Bonds
5
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
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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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