Molecule

ID:6088

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O
Molecular Mass
212.33176
Exact Mass
212.1888634
Charge
0
InChI
InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKey
CQZLEYBEPASILI-NSHDSACASA-N
Canonic Smiles
N[C@H]1CCCCCCCCCCNC1=O
Isomeric Smiles
N[C@H]1CCCCCCCCCCNC1=O
Calculated Properties
JChem
Acid pKa
14.929752
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6845357
LogD (pH = 7.4)
0.9254906
Log P
1.9989923
Molar Refractivity
62.2156
Polarizability
24.838331
Polar Surface Area
55.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.24
LOG S
-2.68
Solubility (Water)
4.44e-01 g/l
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
References
Bioactivity
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