Molecule

ID:58754

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-8-4-3-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3
InChIKey
RZMAEKCTXKHDQA-UHFFFAOYSA-N
Canonic Smiles
CNCCc1cnn(c1)C
Isomeric Smiles
n1(ncc(c1)CCNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.966547
LogD (pH = 7.4)
-2.2044034
Log P
0.24811591
Molar Refractivity
52.9644
Polarizability
15.867263
Polar Surface Area
29.85
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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