Molecule

ID:76426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN
Molecular Mass
203.75208
Exact Mass
203.14407739
Charge
0
InChI
InChI=1S/C11H21N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h10-12H,1-9H2;1H
InChIKey
VERIFEZQOCIVJD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)C1CCNCC1.Cl
Isomeric Smiles
N1CCC(C2CCCCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.68549395
LogD (pH = 7.4)
-0.22864516
Log P
2.5460746
Molar Refractivity
52.5344
Polarizability
21.091114
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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