Molecule

ID:21180

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-6-12(7-3-1)10-15-11-13-8-4-5-9-14-13;/h1-3,6-7,13-14H,4-5,8-11H2;1H
InChIKey
DCUPSYVWORYGIO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)COCc1ccccc1.Cl
Isomeric Smiles
N1C(COCc2ccccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.805454
LogD (pH = 7.4)
0.106587544
Log P
2.3947523
Molar Refractivity
62.1617
Polarizability
24.728235
Polar Surface Area
21.26
Rotatable Bonds
4
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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