Molecule

ID:89085

General Information
Structure
Molecular Formula
C₅H₁₃N₃
Molecular Mass
115.17682
Exact Mass
115.11094743
Charge
0
InChI
InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
InChIKey
RJWLLQWLBMJCFD-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)N
Isomeric Smiles
N1(CCN(CC1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.500139
LogD (pH = 7.4)
-1.7232804
Log P
-1.0209006
Molar Refractivity
35.2276
Polarizability
13.592126
Polar Surface Area
32.5
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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