Molecule

ID:71406

General Information
Structure
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H
InChIKey
WBROBVXHCOSKDW-UHFFFAOYSA-N
Canonic Smiles
CC(CC1Cc2c(C1)cccc2)(N)C.Cl
Isomeric Smiles
Cl.c1ccc2c(c1)CC(C2)CC(N)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.16376178
LogD (pH = 7.4)
0.03586571
Log P
2.8661103
Molar Refractivity
60.732
Polarizability
23.924145
Polar Surface Area
26.02
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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