Molecule

ID:118033

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂
Molecular Mass
250.33822
Exact Mass
250.14699859
Charge
0
InChI
InChI=1S/C17H18N2/c1-12-10-15(11-18)13(2)19(12)17-9-5-7-14-6-3-4-8-16(14)17/h3-10H,11,18H2,1-2H3
InChIKey
CVXCMKOOHWYMMB-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1cccc2c1cccc2)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6393755
LogD (pH = 7.4)
0.5755497
Log P
2.7102
Molar Refractivity
91.0334
Polarizability
32.921833
Polar Surface Area
30.95
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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