Molecule

ID:16957

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-6-3-4-7(9-6)5-8-2/h3-4,8H,5H2,1-2H3
InChIKey
GHATXKUOUZLMGN-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(o1)C
Isomeric Smiles
c1(oc(cc1)C)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9670919
LogD (pH = 7.4)
-0.27528927
Log P
0.79140264
Molar Refractivity
36.8466
Polarizability
14.161099
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
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Molecule Details
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References
Bioactivity
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