Molecule

ID:55710

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClN
Molecular Mass
267.83734
Exact Mass
267.17537752
Charge
0
InChI
InChI=1S/C16H25N.ClH/c1-12-3-2-4-17(11-12)16-8-13-5-14(9-16)7-15(6-13)10-16;/h3,13-15H,2,4-11H2,1H3;1H
InChIKey
XUKYZEVEQZKTMA-UHFFFAOYSA-N
Canonic Smiles
CC1=CCCN(C1)C12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)N1CCC=C(C1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.32808742
LogD (pH = 7.4)
-0.09207302
Log P
3.169289
Molar Refractivity
72.9915
Polarizability
28.608938
Polar Surface Area
3.24
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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