Molecule

ID:6956

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
InChIKey
DPCILIMHENXHQX-UHFFFAOYSA-N
Canonic Smiles
COc1nccnc1CC
Isomeric Smiles
CCc1nccnc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.80657864
LogD (pH = 7.4)
0.80659306
Log P
0.80659324
Molar Refractivity
37.7393
Polarizability
14.669312
Polar Surface Area
35.01
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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