Molecule

ID:17089

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-4-5-6-12-9(3)10(7-13)8(2)11-12/h7H,4-6H2,1-3H3
InChIKey
NFYDOXTUOFDYPA-UHFFFAOYSA-N
Canonic Smiles
CCCCn1nc(c(c1C)C=O)C
Isomeric Smiles
n1(c(c(c(n1)C)C=O)C)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7677604
LogD (pH = 7.4)
1.7684302
Log P
1.7684387
Molar Refractivity
65.1602
Polarizability
19.846266
Polar Surface Area
34.89
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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