Molecule

ID:74253

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChIKey
ODSBVOIXQVBLEU-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)OCc1ccccc1.Cl
Isomeric Smiles
O(Cc1ccccc1)C(=O)N1CC(CCC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5497313
LogD (pH = 7.4)
-0.5463482
Log P
1.4294088
Molar Refractivity
65.6565
Polarizability
25.9112
Polar Surface Area
55.56
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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