Molecule

ID:130185

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₂
Molecular Mass
310.39018
Exact Mass
310.16812795
Charge
0
InChI
InChI=1S/C19H22N2O2/c22-8-5-12-10-21-7-6-19-15-3-1-2-4-16(15)20-18(19)14(11-23)13(12)9-17(19)21/h1-5,11,13-14,17-18,20,22H,6-10H2/t13-,14+,17-,18-,19+/m0/s1
InChIKey
ZOMKIDXZHXWPCN-AQQQZIQISA-N
Canonic Smiles
OC/C=C\1/CN2CC[C@@]34[C@@H]2C[C@H]1[C@@H](C=O)[C@@H]3Nc1c4cccc1
Isomeric Smiles
[C@@H]12Nc3ccccc3[C@@]31[C@H]1N(CC3)C/C(=C/CO)/[C@@H](C1)[C@H]2C=O
Calculated Properties
JChem
Acid pKa
14.198391
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.59389
LogD (pH = 7.4)
-0.87150735
Log P
0.3878954
Molar Refractivity
91.2812
Polarizability
34.4675
Polar Surface Area
52.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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