Molecule

ID:46152

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)17-9-10-19(18(14-17)21(4,5)6)23-13-11-16-8-7-12-22-15-16;/h9-10,14,16,22H,7-8,11-13,15H2,1-6H3;1H
InChIKey
ZYMYEOIUGHJXKA-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OCCC1CCCNC1)C(C)(C)C)(C)C.Cl
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCC1CNCCC1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2202926
LogD (pH = 7.4)
2.5963426
Log P
5.4546146
Molar Refractivity
99.4284
Polarizability
39.323456
Polar Surface Area
21.26
Rotatable Bonds
6
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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