Molecule

ID:92885

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₃
Molecular Mass
306.39994
Exact Mass
306.1943427
Charge
0
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-14-4-6-15(13-20)7-5-14/h4-7,20H,8-13H2,1-3H3
InChIKey
KLDBKWMXUMLYJO-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(CC1)Cc1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
15.004932
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6051398
LogD (pH = 7.4)
1.8032782
Log P
1.8945575
Molar Refractivity
87.1671
Polarizability
33.893894
Polar Surface Area
53.01
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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