Molecule

ID:126278

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-2-3-4-8-5-6-9(10(11)13)12-7-8/h5-7H,2-4H2,1H3,(H2,11,13)
InChIKey
VKSPIPWLHGKJQO-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(nc1)C(=O)N
Isomeric Smiles
O=C(c1ncc(cc1)CCCC)N
Calculated Properties
JChem
Acid pKa
14.366416
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8391453
LogD (pH = 7.4)
1.8391908
Log P
1.8391914
Molar Refractivity
51.4517
Polarizability
19.554882
Polar Surface Area
55.98
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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