Molecule

ID:103946

General Information
Structure
MolImage
Molecular Formula
C₃₆H₆₃ClN₄O₂
Molecular Mass
619.36402
Exact Mass
618.46395496
Charge
0
InChI
InChI=1S/C36H62N4O2.ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;1H
InChIKey
BGMUIZGMOHGDPQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl
Isomeric Smiles
Cl.COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Calculated Properties
JChem
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.622965
LogD (pH = 7.4)
-2.67058
Log P
7.1360316
Molar Refractivity
180.3562
Polarizability
71.66876
Polar Surface Area
66.58
Rotatable Bonds
29
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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