Molecule
ID:71679
General Information
Molecular Formula
C₈H₁₇N₃O
Molecular Mass
171.24008
Exact Mass
171.13716218
Charge
0
InChI
InChI=1S/C8H17N3O/c9-10-8(12)7-11-5-3-1-2-4-6-11/h1-7,9H2,(H,10,12)
InChIKey
CNUWCOZKIQUWLH-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CN1CCCCCC1
Isomeric Smiles
C1CN(CCCC1)CC(=O)NN
Calculated Properties
JChem
Acid pKa
13.118602
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.946745
LogD (pH = 7.4)
-1.1836838
Log P
-0.14033073
Molar Refractivity
49.122
Polarizability
18.90024
Polar Surface Area
58.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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