Molecule

ID:20534

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-12-10-15(8-9-16(12)18)19-14-7-5-6-13(11-14)17(2,3)4/h5-11H,18H2,1-4H3
InChIKey
WQTWCUCXZAXRKR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)Oc1cccc(c1)C(C)(C)C
Isomeric Smiles
c1(C(C)(C)C)cc(Oc2cc(c(cc2)N)C)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.684431
LogD (pH = 7.4)
4.7028446
Log P
4.7030845
Molar Refractivity
80.7063
Polarizability
30.891861
Polar Surface Area
35.25
Rotatable Bonds
3
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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