Molecule

ID:122251

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-8(9-11)7-10-5-3-2-4-6-10/h11H,2-7H2,1H3/b9-8+
InChIKey
UUQTWPVYYBAXPW-CMDGGOBGSA-N
Canonic Smiles
O/N=C(/CN1CCCCC1)\C
Isomeric Smiles
N1(C/C(=N/O)/C)CCCCC1
Calculated Properties
JChem
Acid pKa
10.278014
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.836716
LogD (pH = 7.4)
-0.068243004
Log P
0.85762423
Molar Refractivity
45.5875
Polarizability
17.680605
Polar Surface Area
35.83
Rotatable Bonds
2
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
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References
Bioactivity
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