Molecule

ID:125762

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₅
Molecular Mass
193.2489
Exact Mass
193.13274551
Charge
0
InChI
InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKey
RNMOMKCRCIRYCZ-UHFFFAOYSA-N
Canonic Smiles
CCn1nnc(n1)C1=CCCN(C1)C
Isomeric Smiles
n1nn(nc1C1=CCCN(C)C1)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.53064424
LogD (pH = 7.4)
1.0813857
Log P
1.3992882
Molar Refractivity
69.0463
Polarizability
20.670944
Polar Surface Area
46.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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