Molecule

ID:27119

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)
InChIKey
ZORPHDZMMHDLAM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC(=O)NN)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
Acid pKa
13.187492
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2064443
LogD (pH = 7.4)
1.2089595
Log P
1.2089922
Molar Refractivity
59.2438
Polarizability
23.27981
Polar Surface Area
55.12
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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