Molecule

ID:58218

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-7(2-3-8)10-5-4-9-6-10/h4-7H,2-3,8H2,1H3
InChIKey
WAZALYDSTDIFIY-UHFFFAOYSA-N
Canonic Smiles
NCCC(n1cncc1)C
Isomeric Smiles
n1(cncc1)C(CCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7974343
LogD (pH = 7.4)
-2.9684207
Log P
-0.24199718
Molar Refractivity
41.1435
Polarizability
15.952324
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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