Molecule

ID:48898

General Information
Structure
Molecular Formula
C₁₈H₂₃ClN₂O
Molecular Mass
318.84102
Exact Mass
318.14989105
Charge
0
InChI
InChI=1S/C18H22N2O.ClH/c1-2-20(14-16-11-7-4-8-12-16)18(21)17(19)13-15-9-5-3-6-10-15;/h3-12,17H,2,13-14,19H2,1H3;1H
InChIKey
AKSXUMHRZHZKCF-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(Cc1ccccc1)N)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.40803552
LogD (pH = 7.4)
2.1020303
Log P
2.7993057
Molar Refractivity
86.0931
Polarizability
33.74354
Polar Surface Area
46.33
Rotatable Bonds
6
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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