Molecule

ID:48894

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClN₃O₂
Molecular Mass
313.82296
Exact Mass
313.1557047
Charge
0
InChI
InChI=1S/C15H23N3O2.ClH/c16-14(12-13-4-2-1-3-5-13)15(20)18-8-6-17(7-9-18)10-11-19;/h1-5,14,19H,6-12,16H2;1H
InChIKey
QUDHRXFTTQHNJE-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C(Cc1ccccc1)N.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7717483
LogD (pH = 7.4)
-0.9071198
Log P
-0.12495786
Molar Refractivity
79.0743
Polarizability
31.052532
Polar Surface Area
69.8
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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