Molecule

ID:34769

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂O₂
Molecular Mass
292.41642
Exact Mass
292.21507815
Charge
0
InChI
InChI=1S/C17H28N2O2/c1-16(2,3)12-9-11(7-8-14(20)19-18)10-13(15(12)21)17(4,5)6/h9-10,21H,7-8,18H2,1-6H3,(H,19,20)
InChIKey
KMWIPXLIKIAZMT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
c1(c(C(C)(C)C)cc(cc1C(C)(C)C)CCC(=O)NN)O
Calculated Properties
JChem
Acid pKa
10.75242
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
3.736139
LogD (pH = 7.4)
3.7384677
Log P
3.7386916
Molar Refractivity
87.5856
Polarizability
33.666595
Polar Surface Area
75.35
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
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Molecule Details
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References
Bioactivity
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