Molecule

ID:131119

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O
Molecular Mass
309.40542
Exact Mass
309.18411237
Charge
0
InChI
InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1
InChIKey
SUXLVXOMPKZBOV-CXAGYDPISA-N
Canonic Smiles
CCN(C(=O)[C@H]1CN[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
Isomeric Smiles
CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1
Calculated Properties
JChem
Acid pKa
17.021685
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1670415
LogD (pH = 7.4)
0.25800708
Log P
1.8984671
Molar Refractivity
93.44
Polarizability
36.8586
Polar Surface Area
48.13
Rotatable Bonds
3
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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