Molecule

ID:105143

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₂ClNO₂
Molecular Mass
424.05948
Exact Mass
423.29040727
Charge
0
InChI
InChI=1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24;/h7,19-22H,5-6,8-17H2,1-4H3;1H
InChIKey
GZFYZYBWLCYBMI-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C)CC.Cl
Isomeric Smiles
Cl.CCN(CC)CCOC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
Calculated Properties
JChem
Acid pKa
19.957706
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3775556
LogD (pH = 7.4)
2.7325518
Log P
4.737092
Molar Refractivity
116.9264
Polarizability
45.92313
Polar Surface Area
29.54
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
No Data Available
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Molecule Details
References
Bioactivity
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