Molecule

ID:310

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂
Molecular Mass
278.39138
Exact Mass
278.17829871
Charge
0
InChI
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
InChIKey
CBEQULMOCCWAQT-WOJGMQOQSA-N
Canonic Smiles
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1
Isomeric Smiles
N1(CCCC1)C/C=C(\c1ccc(cc1)C)/c1ncccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.79
LogD (pH = 5.5)
1.06
Log P
4.05
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.64
Polar Surface Area
16.13
Polarizability
33.04
Molar Refractivity
98.53
LOG S
-3.46
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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