Molecule
ID:36930
General Information
Molecular Formula
C₁₂H₂₂N₂O
Molecular Mass
210.31588
Exact Mass
210.17321333
Charge
0
InChI
InChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13/h2-9,11H2,1H3,(H,14,15)
InChIKey
ZGUOPDXQMYCTEF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCNC(=O)CC#N
Isomeric Smiles
CCCCCCCCCNC(=O)CC#N
Calculated Properties
JChem
Acid pKa
10.494368
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6903036
LogD (pH = 7.4)
2.6899974
Log P
2.6903074
Molar Refractivity
61.5646
Polarizability
23.88041
Polar Surface Area
52.89
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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