Molecule

ID:35480

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-6(8)5-10-4-3-7(2)9-10/h3-4,6H,5,8H2,1-2H3
InChIKey
ISXYLDXKTNOIBN-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1ccc(n1)C)N
Isomeric Smiles
n1(nc(cc1)C)CC(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8623657
LogD (pH = 7.4)
-2.214674
Log P
0.15206726
Molar Refractivity
51.9215
Polarizability
15.865657
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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