Molecule

ID:89751

General Information
Structure
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)
InChIKey
ZFAKTZXUUNBLEB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)[NH2+]C1CCCCC1.[O-]N=O
Isomeric Smiles
[NH2+](C1CCCCC1)C1CCCCC1.N(=O)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.16547571
LogD (pH = 7.4)
0.28951243
Log P
3.4056625
Molar Refractivity
68.1367
Polarizability
22.863754
Polar Surface Area
16.61
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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