Molecule

ID:29344

General Information
Structure
Molecular Formula
C₂₂H₃₀ClNO₂
Molecular Mass
375.9321
Exact Mass
375.19650689
Charge
0
InChI
InChI=1S/C22H30ClNO2/c1-3-4-5-6-7-16-25-21-14-10-20(11-15-21)24-17-18(2)26-22-12-8-19(23)9-13-22/h8-15,18,24H,3-7,16-17H2,1-2H3
InChIKey
GNXUVMAQLSZRGD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCC(Oc1ccc(cc1)Cl)C
Isomeric Smiles
N(c1ccc(cc1)OCCCCCCC)CC(Oc1ccc(Cl)cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.43393
LogD (pH = 7.4)
6.607887
Log P
6.610627
Molar Refractivity
110.1674
Polarizability
42.690132
Polar Surface Area
30.49
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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