Molecule

ID:129970

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)
InChIKey
FVKFHMNJTHKMRX-UHFFFAOYSA-N
Canonic Smiles
C1CNC2=NCCCN2C1
Isomeric Smiles
N1=C2NCCCN2CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8345432
LogD (pH = 7.4)
-2.8333185
Log P
-0.4190985
Molar Refractivity
40.9773
Polarizability
15.167609
Polar Surface Area
27.63
Rotatable Bonds
0
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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