Molecule

ID:45702

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c15-13(8-11-4-2-1-3-5-11)16-10-12-6-7-14-9-12;/h1-5,12,14H,6-10H2;1H
InChIKey
FKTZKSWMLOHLPB-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7822397
LogD (pH = 7.4)
-1.6754394
Log P
1.4582351
Molar Refractivity
62.4093
Polarizability
24.779095
Polar Surface Area
38.33
Rotatable Bonds
5
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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