Molecule

ID:55307

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-12-2-4-13(5-3-12)10-15-8-6-14(11-16)7-9-15;/h2-5,14,16H,6-11H2,1H3;1H
InChIKey
ANLISXCFQDNODX-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)Cc1ccc(cc1)C.Cl
Isomeric Smiles
N1(Cc2ccc(cc2)C)CCC(CC1)CO.Cl
Calculated Properties
JChem
Acid pKa
15.467189
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9896905
LogD (pH = 7.4)
0.6078612
Log P
2.2067244
Molar Refractivity
68.1842
Polarizability
26.421041
Polar Surface Area
23.47
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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