Molecule

ID:128742

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₃
Molecular Mass
297.34836
Exact Mass
297.13649347
Charge
0
InChI
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
InChIKey
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
Canonic Smiles
COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O
Isomeric Smiles
Oc1ccc2c3c1O[C@H]1C(=CC=C4[C@H](N(CC[C@]314)C)C2)OC
Calculated Properties
JChem
Acid pKa
7.355888
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2941672
LogD (pH = 7.4)
0.21905935
Log P
0.4847039
Molar Refractivity
86.1774
Polarizability
32.445
Polar Surface Area
41.93
Rotatable Bonds
1
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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