Molecule

ID:37831

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃ClN₂O₂
Molecular Mass
358.86182
Exact Mass
358.14480567
Charge
0
InChI
InChI=1S/C20H22N2O2.ClH/c23-20(16-7-8-16)22(18-4-2-1-3-5-18)14-15-6-9-19-17(12-15)13-21-10-11-24-19;/h1-6,9,12,16,21H,7-8,10-11,13-14H2;1H
InChIKey
WCTVHQNOAACRLF-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ccccc1)Cc1ccc2c(c1)CNCCO2)C1CC1.Cl
Isomeric Smiles
C1C(C1)C(=O)N(Cc1ccc2c(c1)CNCCO2)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.14538532
LogD (pH = 7.4)
1.4283596
Log P
2.8084443
Molar Refractivity
93.7909
Polarizability
36.59415
Polar Surface Area
41.57
Rotatable Bonds
4
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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