Molecule

ID:66487

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₂
Molecular Mass
291.3886
Exact Mass
291.19467706
Charge
0
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13/h4-7H,8-12,17H2,1-3H3
InChIKey
ZTYRRWNDQSVOCL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)Cc1ccc(cc1)N)OC(C)(C)C
Isomeric Smiles
N1(CCN(CC1)Cc1ccc(cc1)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3674577
LogD (pH = 7.4)
1.7012619
Log P
1.8329813
Molar Refractivity
85.0516
Polarizability
32.578503
Polar Surface Area
58.8
Rotatable Bonds
4
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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