Molecule

ID:101034

General Information
Structure
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3/b11-8+
InChIKey
OVFDEGGJFJECAT-DHZHZOJOSA-N
Canonic Smiles
O/N=C/1\CC2C(C1(C)CC2)(C)C
Isomeric Smiles
C12(C(C(C/C/1=N\O)CC2)(C)C)C
Calculated Properties
JChem
Acid pKa
11.5069475
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5623462
LogD (pH = 7.4)
2.5624301
Log P
2.5624654
Molar Refractivity
48.3137
Polarizability
19.10823
Polar Surface Area
32.59
Rotatable Bonds
0
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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