Molecule

ID:53710

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO
Molecular Mass
267.79428
Exact Mass
267.13899201
Charge
0
InChI
InChI=1S/C15H21NO.ClH/c1-2-4-13(5-3-1)10-14-11-15(17-12-14)6-8-16-9-7-15;/h1-5,14,16H,6-12H2;1H
InChIKey
QCYCTVCNBHHPKW-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)OCC(C2)Cc1ccccc1.Cl
Isomeric Smiles
C12(OCC(C1)Cc1ccccc1)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1780397
LogD (pH = 7.4)
-0.47948432
Log P
2.0412192
Molar Refractivity
69.7671
Polarizability
27.607662
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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