Molecule

ID:117992

General Information
Structure
MolImage
Molecular Formula
C₄H₁₃N₃
Molecular Mass
103.16612
Exact Mass
103.11094743
Charge
0
InChI
InChI=1S/C4H13N3/c1-7(2)4-3-6-5/h6H,3-5H2,1-2H3
InChIKey
XXYDEJAJDOABCE-UHFFFAOYSA-N
Canonic Smiles
NNCCN(C)C
Isomeric Smiles
N(N)CCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3903968
LogD (pH = 7.4)
-1.6153209
Log P
-0.79146975
Molar Refractivity
42.9148
Polarizability
12.481601
Polar Surface Area
41.29
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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