Molecule

ID:61982

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O
Molecular Mass
294.39078
Exact Mass
294.17321333
Charge
0
InChI
InChI=1S/C19H22N2O/c1-2-21-13-12-20-18(19(21)22)14-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,18,20H,2,12-14H2,1H3
InChIKey
YBDHCJHLHZMKIR-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1=O)Cc1ccccc1c1ccccc1
Isomeric Smiles
C1(=O)N(CCNC1Cc1c(c2ccccc2)cccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4922099
LogD (pH = 7.4)
2.8420482
Log P
2.9831133
Molar Refractivity
89.4223
Polarizability
36.257545
Polar Surface Area
32.34
Rotatable Bonds
4
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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