Molecule

ID:129031

General Information
Structure
MolImage
Molecular Formula
C₉H₂₃N₃
Molecular Mass
173.29902
Exact Mass
173.18919775
Charge
0
InChI
InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKey
UKODFQOELJFMII-UHFFFAOYSA-N
Canonic Smiles
CN(CCN(C)C)CCN(C)C
Isomeric Smiles
CN(C)CCN(C)CCN(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.44
LogD (pH = 5.5)
-5.81
Log P
0.23
Rotatable Bonds
6
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.08
Polar Surface Area
9.72
Polarizability
22.26
Molar Refractivity
56.03
LOG S
0.86
Data Source
Names and Identifiers
Registration numbers
Properties
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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