Molecule

ID:32066

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1,3-7H2
InChIKey
MVOFPBMQTXKONX-UHFFFAOYSA-N
Canonic Smiles
N#CCCN1CCNCC1
Isomeric Smiles
C(#N)CCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6906824
LogD (pH = 7.4)
-2.3784254
Log P
-0.572814
Molar Refractivity
40.5068
Polarizability
15.7885475
Polar Surface Area
39.06
Rotatable Bonds
2
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
References
Bioactivity
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