Molecule

ID:20157

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16/h5-12H,4,18H2,1-3H3
InChIKey
WBBJEKAHJPQRFN-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1)N)(C)C
Isomeric Smiles
C(c1ccc(Oc2ccc(N)cc2)cc1)(CC)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6070766
LogD (pH = 7.4)
4.633879
Log P
4.634232
Molar Refractivity
80.2661
Polarizability
30.971323
Polar Surface Area
35.25
Rotatable Bonds
4
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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