Molecule

ID:19434

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12;/h7-9,12,14H,3-6H2,1-2H3;1H
InChIKey
OHCXJBQHXFBVTI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1)C)C1CCNCC1.Cl
Isomeric Smiles
c1(cc(cc(c1)C)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1171825
LogD (pH = 7.4)
0.53297675
Log P
3.1051536
Molar Refractivity
61.5614
Polarizability
23.842825
Polar Surface Area
12.03
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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