Molecule

ID:89044

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂
Molecular Mass
170.2105
Exact Mass
170.08439833
Charge
0
InChI
InChI=1S/C11H10N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4H,5-6,8H2
InChIKey
WXAPQORJZZXZJE-UHFFFAOYSA-N
Canonic Smiles
N#CCC1=NCCc2c1cccc2
Isomeric Smiles
N1=C(c2ccccc2CC1)CC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1920403
LogD (pH = 7.4)
1.7428979
Log P
1.7572967
Molar Refractivity
52.0476
Polarizability
19.289522
Polar Surface Area
36.15
Rotatable Bonds
1
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
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References
Bioactivity
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