Molecule

ID:46401

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO
Molecular Mass
331.87954
Exact Mass
331.17029214
Charge
0
InChI
InChI=1S/C20H25NO.ClH/c1-2-6-18(7-3-1)19-11-9-17(10-12-19)16-22-15-13-20-8-4-5-14-21-20;/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2;1H
InChIKey
VBNHGZKQGMWDMV-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOCc1ccc(cc1)c1ccccc1.Cl
Isomeric Smiles
N1C(CCOCc2ccc(c3ccccc3)cc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.87037265
LogD (pH = 7.4)
1.3273224
Log P
4.1019373
Molar Refractivity
92.1633
Polarizability
37.631626
Polar Surface Area
21.26
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
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Molecule Details
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References
Bioactivity
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