Molecule

ID:62086

General Information
Structure
Molecular Formula
C₁₅H₂₃ClN₂
Molecular Mass
266.80952
Exact Mass
266.15497643
Charge
0
InChI
InChI=1S/C15H23ClN2/c1-12(2)18-8-3-4-13(6-9-18)10-14-5-7-17-15(16)11-14/h5,7,11-13H,3-4,6,8-10H2,1-2H3
InChIKey
LBEJKSLNZLPGAT-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CC1CCCN(CC1)C(C)C
Isomeric Smiles
N1(CCC(Cc2cc(ncc2)Cl)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.25324675
LogD (pH = 7.4)
0.9739805
Log P
3.7304285
Molar Refractivity
78.8523
Polarizability
30.493824
Polar Surface Area
16.13
Rotatable Bonds
3
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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