Molecule

ID:33853

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-4-10-6(2)5-7(8)9-10/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKey
FPMWRTXRUDPAQA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CCC)N
Isomeric Smiles
n1n(c(cc1N)C)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.22695
LogD (pH = 7.4)
1.2452902
Log P
1.2455292
Molar Refractivity
54.3976
Polarizability
15.469594
Polar Surface Area
43.84
Rotatable Bonds
2
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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