Molecule

ID:78287

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,5-7H,3-4,11H2
InChIKey
MQUKIHULEODGRN-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc2c(c1)nccn2
Isomeric Smiles
n1ccnc2cc(ccc12)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.294695
LogD (pH = 7.4)
-1.5644019
Log P
0.713508
Molar Refractivity
50.6788
Polarizability
21.242355
Polar Surface Area
51.8
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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