Molecule

ID:58355

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H18ClNO/c1-10-13(16)5-4-6-14(10)17-11-7-12(18)9-15(2,3)8-11/h4-7,17H,8-9H2,1-3H3
InChIKey
LRNBORVFTDIRDN-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(CC(C1)(C)C)Nc1cccc(c1C)Cl
Isomeric Smiles
C1C(CC(=CC1=O)Nc1c(c(ccc1)Cl)C)(C)C
Calculated Properties
JChem
Acid pKa
16.871082
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7980971
LogD (pH = 7.4)
3.7980976
Log P
3.7980976
Molar Refractivity
78.2472
Polarizability
28.924236
Polar Surface Area
29.1
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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