Molecule

ID:46657

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₆ClNO
Molecular Mass
353.96964
Exact Mass
353.24854246
Charge
0
InChI
InChI=1S/C21H35NO.ClH/c1-20(2,3)16-21(4,5)17-9-11-19(12-10-17)23-15-13-18-8-6-7-14-22-18;/h9-12,18,22H,6-8,13-16H2,1-5H3;1H
InChIKey
BMOOJAYVEFQCHD-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1ccc(cc1)OCCC1CCCCN1)(C)C)(C)C.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1NCCCC1)(CC(C)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2169893
LogD (pH = 7.4)
2.8098917
Log P
5.442524
Molar Refractivity
98.8148
Polarizability
39.405155
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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