Molecule

ID:28924

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-13-9-14(2)11-16(10-13)18-12-15(3)19-17-7-5-4-6-8-17/h4-11,15,18H,12H2,1-3H3
InChIKey
AKAMNUCOZVVGPY-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1)CNc1cc(C)cc(c1)C
Isomeric Smiles
c1(NCC(Oc2ccccc2)C)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5005856
LogD (pH = 7.4)
4.533061
Log P
4.533491
Molar Refractivity
81.3052
Polarizability
30.837124
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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