Molecule

ID:114016

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N₃
Molecular Mass
149.19304
Exact Mass
149.09529737
Charge
0
InChI
InChI=1S/C8H11N3/c9-7-5-10-4-6-2-1-3-11-8(6)7/h4-5,11H,1-3,9H2
InChIKey
DWJYWOLHBXVMFI-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc2c1NCCC2
Isomeric Smiles
c12c(N)cncc2CCCN1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1010479
LogD (pH = 7.4)
-1.0729038
Log P
-0.11611727
Molar Refractivity
46.7059
Polarizability
16.4223
Polar Surface Area
50.94
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
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References
Bioactivity
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