Molecule

ID:80481

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKey
AGQXLVABIKZJJG-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(oc1C)C
Isomeric Smiles
o1c(c(cc1C)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2649071
LogD (pH = 7.4)
-0.9476933
Log P
0.63838243
Molar Refractivity
37.3442
Polarizability
14.0838375
Polar Surface Area
39.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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