Molecule

ID:83606

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H16ClNO2/c1-3-4-9-16-11-8-6-5-7-10(11)12(17)14(2,15)13(16)18/h5-8H,3-4,9H2,1-2H3
InChIKey
RNLSUJNFHAQNSI-UHFFFAOYSA-N
Canonic Smiles
CCCCN1c2ccccc2C(=O)C(C1=O)(C)Cl
Isomeric Smiles
N1(C(=O)C(C(=O)c2ccccc12)(Cl)C)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1443422
LogD (pH = 7.4)
3.1443422
Log P
3.1443422
Molar Refractivity
71.1162
Polarizability
27.418468
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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