Molecule

ID:63514

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
InChIKey
UQAHBOKPZNLKRF-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1)CN
Isomeric Smiles
n1ccc(CN)cc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6306946
LogD (pH = 7.4)
-1.4656171
Log P
0.31812808
Molar Refractivity
39.1512
Polarizability
15.312296
Polar Surface Area
48.14
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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