Molecule

ID:29345

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₂
Molecular Mass
369.5402
Exact Mass
369.26677937
Charge
0
InChI
InChI=1S/C24H35NO2/c1-5-6-7-8-9-16-26-23-14-12-22(13-15-23)25-18-21(4)27-24-17-19(2)10-11-20(24)3/h10-15,17,21,25H,5-9,16,18H2,1-4H3
InChIKey
WNAVKNGEDGVFCB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCC(Oc1cc(C)ccc1C)C
Isomeric Smiles
c1(OC(CNc2ccc(cc2)OCCCCCCC)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.8567305
LogD (pH = 7.4)
7.030685
Log P
7.0334253
Molar Refractivity
115.445
Polarizability
44.39966
Polar Surface Area
30.49
Rotatable Bonds
12
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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