Molecule

ID:62303

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₂
Molecular Mass
303.3993
Exact Mass
303.19467706
Charge
0
InChI
InChI=1S/C17H25N3O2/c1-14(21)19-10-6-17(7-11-19)22-16-4-2-15(3-5-16)20-12-8-18-9-13-20/h2-5,17-18H,6-13H2,1H3
InChIKey
GVGDUUXWZZPYSD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)Oc1ccc(cc1)N1CCNCC1
Isomeric Smiles
N1(C(=O)C)CCC(CC1)Oc1ccc(N2CCNCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.372053
LogD (pH = 7.4)
-0.8653402
Log P
0.6413905
Molar Refractivity
87.4275
Polarizability
33.67665
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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