Molecule

ID:12932

General Information
Structure
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H18ClNO/c1-10-5-6-12-11(2)8-15(3,4)17(13(12)7-10)14(18)9-16/h5-8H,9H2,1-4H3
InChIKey
GQJUBLVBZSKFTN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2cc(C)ccc2C(=CC1(C)C)C
Isomeric Smiles
c12c(N(C(C=C1C)(C)C)C(=O)CCl)cc(cc2)C
Calculated Properties
JChem
Acid pKa
16.706463
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4834766
LogD (pH = 7.4)
3.4834766
Log P
3.4834766
Molar Refractivity
76.0435
Polarizability
28.936995
Polar Surface Area
20.31
Rotatable Bonds
1
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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