Molecule

ID:106039

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₇ClN₂
Molecular Mass
377.00628
Exact Mass
376.26452687
Charge
0
InChI
InChI=1S/C23H36N2.ClH/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20;/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25);1H
InChIKey
CKOPQUCSDBVAQG-UHFFFAOYSA-N
Canonic Smiles
C1CCCCC/N=C(/CCCCC1)\NC1CCCC1c1ccccc1.Cl
Isomeric Smiles
Cl.C1CCCCC/N=C(/CCCCC1)\NC1CCCC1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.762645
LogD (pH = 7.4)
3.7816348
Log P
6.1778564
Molar Refractivity
106.9995
Polarizability
42.022705
Polar Surface Area
24.39
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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