Molecule

ID:57556

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-2-3-10-6-7(4-8)5-9-10/h5-6H,2-4,8H2,1H3
InChIKey
VEDJQINYVJOHTP-UHFFFAOYSA-N
Canonic Smiles
CCCn1ncc(c1)CN
Isomeric Smiles
n1(ncc(c1)CN)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.520309
LogD (pH = 7.4)
-1.2715735
Log P
0.40620467
Molar Refractivity
52.7074
Polarizability
15.942439
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
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Molecule Details
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References
Bioactivity
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