Molecule

ID:84832

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O
Molecular Mass
294.39078
Exact Mass
294.17321333
Charge
0
InChI
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18-,19+/m0/s1
InChIKey
KMPWYEUPVWOPIM-YNRGSOABSA-N
Canonic Smiles
C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)O
Isomeric Smiles
N12[C@@H](C[C@H]([C@H](C1)C=C)CC2)[C@@H](c1ccnc2c1cccc2)O
Calculated Properties
JChem
Acid pKa
13.8773155
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.60487753
LogD (pH = 7.4)
0.92435837
Log P
2.6711352
Molar Refractivity
88.2304
Polarizability
35.8717
Polar Surface Area
36.36
Rotatable Bonds
3
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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