Molecule

ID:13185

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,4-5,8H2,1H3
InChIKey
CRXPPSOPUXNVOU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)CCCN
Isomeric Smiles
c1c(nn(c1)CCCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2314947
LogD (pH = 7.4)
-2.869456
Log P
-0.20454803
Molar Refractivity
52.3681
Polarizability
15.865726
Polar Surface Area
43.84
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
No Data Available
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Molecule Details
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References
Bioactivity
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