Molecule

ID:24361

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N₃O₂
Molecular Mass
187.23948
Exact Mass
187.1320768
Charge
0
InChI
InChI=1S/C8H17N3O2/c9-11-8(12)3-4-10-6-7-2-1-5-13-7/h7,10H,1-6,9H2,(H,11,12)
InChIKey
PNIGKZNIOUEGGC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNCC1CCCO1
Isomeric Smiles
C(=O)(CCNCC1OCCC1)NN
Calculated Properties
JChem
Acid pKa
13.062003
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.2916245
LogD (pH = 7.4)
-3.0086024
Log P
-1.1627117
Molar Refractivity
50.0384
Polarizability
19.615421
Polar Surface Area
76.38
Rotatable Bonds
5
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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