Molecule

ID:120146

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O
Molecular Mass
140.18298
Exact Mass
140.09496301
Charge
0
InChI
InChI=1S/C7H12N2O/c1-7-3-2-6(10)9(7)5-4-8-7/h8H,2-5H2,1H3
InChIKey
MMWGHXITWAALJO-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2(N1CCN2)C
Isomeric Smiles
N12C(NCC2)(CCC1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0905313
LogD (pH = 7.4)
-1.3576876
Log P
-0.5466223
Molar Refractivity
37.7798
Polarizability
14.909609
Polar Surface Area
32.34
Rotatable Bonds
0
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
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References
Bioactivity
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