Molecule
ID:24370
General Information
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c10-9(12)6-7-11-8-4-2-1-3-5-8/h8,11H,1-7H2,(H2,10,12)
InChIKey
PQCXYSAZMNHCSS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNC1CCCCC1
Isomeric Smiles
C(=O)(CCNC1CCCCC1)N
Calculated Properties
JChem
Acid pKa
16.876703
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7077441
LogD (pH = 7.4)
-2.0551486
Log P
0.5144455
Molar Refractivity
48.3138
Polarizability
19.311396
Polar Surface Area
55.12
Rotatable Bonds
4
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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