Molecule

ID:46650

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀ClNO
Molecular Mass
359.9327
Exact Mass
359.20159227
Charge
0
InChI
InChI=1S/C22H29NO.ClH/c1-22(2,19-6-4-3-5-7-19)20-8-10-21(11-9-20)24-17-14-18-12-15-23-16-13-18;/h3-11,18,23H,12-17H2,1-2H3;1H
InChIKey
LKMQEOMDCHWPTD-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OCCC1CCNCC1)C.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1CCNCC1)(c1ccccc1)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.733823
LogD (pH = 7.4)
2.190213
Log P
4.965409
Molar Refractivity
111.4289
Polarizability
39.806404
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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