Molecule

ID:24338

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N₃O
Molecular Mass
171.24008
Exact Mass
171.13716218
Charge
0
InChI
InChI=1S/C8H17N3O/c9-10-8(12)4-7-11-5-2-1-3-6-11/h1-7,9H2,(H,10,12)
InChIKey
AWVBNMXEAMVLLQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN1CCCCC1
Isomeric Smiles
C(=O)(CCN1CCCCC1)NN
Calculated Properties
JChem
Acid pKa
13.3064375
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7458494
LogD (pH = 7.4)
-2.4984648
Log P
-0.34788665
Molar Refractivity
49.2204
Polarizability
18.90024
Polar Surface Area
58.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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