Molecule

ID:62527

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅ClN₂
Molecular Mass
232.7933
Exact Mass
232.17062649
Charge
0
InChI
InChI=1S/C12H24N2.ClH/c1-14(11-5-3-2-4-6-11)12-7-9-13-10-8-12;/h11-13H,2-10H2,1H3;1H
InChIKey
NPXOLJIQXDGLLB-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCNCC1)C1CCCCC1.Cl
Isomeric Smiles
N(C1CCNCC1)(C1CCCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3868065
LogD (pH = 7.4)
-2.4705532
Log P
1.6331981
Molar Refractivity
61.1587
Polarizability
24.457176
Polar Surface Area
15.27
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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