Molecule

ID:42697

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O₂
Molecular Mass
325.40482
Exact Mass
325.17902699
Charge
0
InChI
InChI=1S/C19H23N3O2/c1-24-19(23)17-13-16(20)7-8-18(17)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14,20H2,1H3
InChIKey
FMTNSDJQEQJTID-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)ccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(c(N2CCN(Cc3ccccc3)CC2)ccc(c1)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3898107
LogD (pH = 7.4)
2.1682906
Log P
2.8274333
Molar Refractivity
97.875
Polarizability
36.62654
Polar Surface Area
58.8
Rotatable Bonds
5
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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