Molecule

ID:77537

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃
Molecular Mass
185.22514
Exact Mass
185.09529737
Charge
0
InChI
InChI=1S/C11H11N3/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)
InChIKey
JZUHYRSDTPCHRR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nnc1N)c1ccccc1
Isomeric Smiles
n1nc(c(cc1c1ccccc1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0630443
LogD (pH = 7.4)
2.087511
Log P
2.087832
Molar Refractivity
58.5837
Polarizability
22.446821
Polar Surface Area
51.8
Rotatable Bonds
1
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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