Molecule

ID:117590

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-8-7-9-5-6-10(7)4-2/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
LPXFBCUGAYBXCQ-UHFFFAOYSA-N
Canonic Smiles
CCNc1nccn1CC
Isomeric Smiles
c1(n(ccn1)CC)NCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.11114017
LogD (pH = 7.4)
0.36573735
Log P
0.9490959
Molar Refractivity
43.0738
Polarizability
15.563576
Polar Surface Area
29.85
Rotatable Bonds
3
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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