Molecule

ID:126602

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-LSOMNZGLSA-N
Canonic Smiles
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cccc2)O
Isomeric Smiles
n1c2c(cccc2)c(cc1)[C@H](O)[C@H]1N2CC[C@@H](C1)[C@@H](C=C)C2
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
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation