Molecule

ID:37573

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄N₂O
Molecular Mass
200.32106
Exact Mass
200.1888634
Charge
0
InChI
InChI=1S/C11H24N2O/c1-4-5-6-7-8-9-12-11(2,3)10-13-14/h10,12,14H,4-9H2,1-3H3/b13-10+
InChIKey
YYBCRELLTLWQPF-JLHYYAGUSA-N
Canonic Smiles
CCCCCCCNC(/C=N/O)(C)C
Isomeric Smiles
C(=N\O)/C(C)(C)NCCCCCCC
Calculated Properties
JChem
Acid pKa
8.621497
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.23132452
LogD (pH = 7.4)
1.245209
Log P
2.3017085
Molar Refractivity
60.5581
Polarizability
23.940853
Polar Surface Area
44.62
Rotatable Bonds
8
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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