Molecule

ID:74127

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKey
JVDPFQDYGHWBBX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(c1ccc(cc1)CC(C)C)C
Isomeric Smiles
N(C(=O)C(c1ccc(cc1)CC(C)C)C)N
Calculated Properties
JChem
Acid pKa
13.254905
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7383916
LogD (pH = 7.4)
2.7401173
Log P
2.74014
Molar Refractivity
67.0382
Polarizability
25.780449
Polar Surface Area
55.12
Rotatable Bonds
4
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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