Molecule

ID:124205

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-9-4-6-10(3-2-8)7-5-9/h3-7H2,1H3
InChIKey
XCUQQNRWWCWVOP-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC#N
Isomeric Smiles
N#CCN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.7740386
LogD (pH = 7.4)
-1.0282457
Log P
-0.4267788
Molar Refractivity
41.1021
Polarizability
15.7885475
Polar Surface Area
30.27
Rotatable Bonds
1
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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