Molecule

ID:18044

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H21ClN2O/c15-13-3-5-14(6-4-13)18-12-2-1-9-17-10-7-16-8-11-17/h3-6,16H,1-2,7-12H2
InChIKey
VAZDBXNKKIWEKP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCCCN1CCNCC1
Isomeric Smiles
N1(CCCCOc2ccc(Cl)cc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.91020364
LogD (pH = 7.4)
0.44302455
Log P
2.479658
Molar Refractivity
75.6105
Polarizability
29.915974
Polar Surface Area
24.5
Rotatable Bonds
6
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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