Molecule

ID:116468

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKey
JFHIGUKSVGJENI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(on1)CCCN
Isomeric Smiles
n1oc(cc1C)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9277291
LogD (pH = 7.4)
-2.4036748
Log P
0.09225336
Molar Refractivity
39.9524
Polarizability
15.048869
Polar Surface Area
52.05
Rotatable Bonds
3
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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