Molecule

ID:20916

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₂
Molecular Mass
303.3993
Exact Mass
303.19467706
Charge
0
InChI
InChI=1S/C17H25N3O2/c1-14(21)19-9-11-20(12-10-19)15-4-6-16(7-5-15)22-17-3-2-8-18-13-17/h4-7,17-18H,2-3,8-13H2,1H3
InChIKey
NJPKGFBMGKOZES-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccc(cc1)OC1CCCNC1
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(OC3CNCCC3)cc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.086846
LogD (pH = 7.4)
-0.9931216
Log P
1.0987935
Molar Refractivity
87.2067
Polarizability
33.676594
Polar Surface Area
44.81
Rotatable Bonds
3
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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