Molecule

ID:86189

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c14-11-6-2-5-9-13(11)10-12-7-3-1-4-8-12/h1-10H2
InChIKey
XXNPGDNFOAYHCH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCN1CN1CCCCC1
Isomeric Smiles
N1(C(=O)CCCC1)CN1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0963486
LogD (pH = 7.4)
0.6037713
Log P
1.067747
Molar Refractivity
56.7262
Polarizability
22.265976
Polar Surface Area
23.55
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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