Molecule

ID:48872

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15;/h1-3,6-7,12H,4-5,8-10,14H2;1H
InChIKey
XUFPVPUOOAOXTF-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCCC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCCC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2677215
LogD (pH = 7.4)
0.4262636
Log P
1.1238221
Molar Refractivity
64.2729
Polarizability
25.229525
Polar Surface Area
46.33
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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