Molecule

ID:78861

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-10-7-12(8-11(2)13(10)15)9-14-5-3-4-6-14;/h7-8,15H,3-6,9H2,1-2H3;1H
InChIKey
BMVORQMUWFUIOA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(CN2CCCC2)cc(c1O)C.Cl
Isomeric Smiles
N1(Cc2cc(c(c(c2)C)O)C)CCCC1.Cl
Calculated Properties
JChem
Acid pKa
10.2499695
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22382651
LogD (pH = 7.4)
1.2950625
Log P
2.7777958
Molar Refractivity
64.205
Polarizability
24.480947
Polar Surface Area
23.47
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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