Molecule

ID:53234

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₅O
Molecular Mass
221.259
Exact Mass
221.12766013
Charge
0
InChI
InChI=1S/C10H15N5O/c1-8-12-5-7-15(8)6-3-10-14-13-9(16-10)2-4-11/h5,7H,2-4,6,11H2,1H3
InChIKey
GLJLJDSVFIABBB-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1CCc1nnc(o1)CCN
Isomeric Smiles
n1ccn(c1C)CCc1oc(nn1)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.3122244
LogD (pH = 7.4)
-3.3984485
Log P
-1.3464438
Molar Refractivity
60.4146
Polarizability
22.30812
Polar Surface Area
82.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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