Molecule

ID:41745

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O
Molecular Mass
287.3999
Exact Mass
287.19976244
Charge
0
InChI
InChI=1S/C17H25N3O/c18-15-8-6-14(7-9-15)17(21)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13,18H2
InChIKey
ISEWARYCFRTPRD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCN(CC1)C1CCCCC1
Isomeric Smiles
C(=O)(N1CCN(CC1)C1CCCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.48577255
LogD (pH = 7.4)
1.2891196
Log P
2.0887024
Molar Refractivity
86.6945
Polarizability
32.78491
Polar Surface Area
49.57
Rotatable Bonds
2
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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