Molecule

ID:57883

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₅
Molecular Mass
153.18504
Exact Mass
153.10144538
Charge
0
InChI
InChI=1S/C6H11N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKey
FNVMYJMQMQSCHW-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1nnn[nH]1
Isomeric Smiles
[nH]1c(nnn1)C1CCNCC1
Calculated Properties
JChem
Acid pKa
4.7477818
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.366172
LogD (pH = 7.4)
-2.2985215
Log P
-2.3001292
Molar Refractivity
43.1909
Polarizability
15.354251
Polar Surface Area
66.49
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
References
Bioactivity
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