Molecule

ID:46652

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀ClNO
Molecular Mass
359.9327
Exact Mass
359.20159227
Charge
0
InChI
InChI=1S/C22H29NO.ClH/c1-22(2,18-8-4-3-5-9-18)19-11-13-21(14-12-19)24-17-15-20-10-6-7-16-23-20;/h3-5,8-9,11-14,20,23H,6-7,10,15-17H2,1-2H3;1H
InChIKey
XOXIATZLTRDHCX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OCCC1CCCCN1)C.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1NCCCC1)(c1ccccc1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8745896
LogD (pH = 7.4)
2.467492
Log P
5.1001244
Molar Refractivity
111.1785
Polarizability
39.806404
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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