Molecule

ID:81102

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h6H,1-5H3
InChIKey
WQHXOHHEPNBXMF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1C)C(C)(C)C
Isomeric Smiles
n1(nc(C)c(c1C)C=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4979014
LogD (pH = 7.4)
1.4984919
Log P
1.4984994
Molar Refractivity
65.0922
Polarizability
19.845972
Polar Surface Area
34.89
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
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Molecule Details
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References
Bioactivity
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