Molecule

ID:37930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-7(2)10-6-9(12-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3
InChIKey
AKSJGCJJRTZWNS-UHFFFAOYSA-N
Canonic Smiles
CC(c1onc(c1)C1CCCN1)C
Isomeric Smiles
n1c(cc(o1)C(C)C)C1NCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3161073
LogD (pH = 7.4)
0.20953985
Log P
1.6824223
Molar Refractivity
51.6574
Polarizability
19.915749
Polar Surface Area
38.06
Rotatable Bonds
2
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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