Molecule

ID:48921

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12;/h2-4,6-7,12,14H,5,8-10H2,1H3;1H
InChIKey
CGUANMLNNYDIOF-UHFFFAOYSA-N
Canonic Smiles
O=C(N(Cc1ccccc1)C)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9392269
LogD (pH = 7.4)
-1.0905046
Log P
1.2677412
Molar Refractivity
64.2925
Polarizability
25.227533
Polar Surface Area
32.34
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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