Molecule

ID:67770

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
InChIKey
HGRHWEAUHXYNNP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCN(CC=C)CC=C)c[nH]2
Isomeric Smiles
N(CCc1c[nH]c2ccc(cc12)OC)(CC=C)CC=C
Calculated Properties
JChem
Acid pKa
17.440722
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.48632717
LogD (pH = 7.4)
2.1418777
Log P
3.6068943
Molar Refractivity
85.2308
Polarizability
33.845963
Polar Surface Area
28.26
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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