Molecule

ID:77752

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-6-3-4-9-7(6)5-8-2/h3-4,8H,5H2,1-2H3
InChIKey
KBNPUPCSMGGUHM-UHFFFAOYSA-N
Canonic Smiles
CNCc1occc1C
Isomeric Smiles
o1c(c(cc1)C)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6638424
LogD (pH = 7.4)
0.024089338
Log P
1.1052626
Molar Refractivity
36.7381
Polarizability
14.159
Polar Surface Area
25.17
Rotatable Bonds
2
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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