Molecule

ID:77013

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O
Molecular Mass
261.36262
Exact Mass
261.18411237
Charge
0
InChI
InChI=1S/C15H23N3O/c16-13-3-5-14(6-4-13)18-9-7-17(8-10-18)12-15-2-1-11-19-15/h3-6,15H,1-2,7-12,16H2
InChIKey
PJKUCJAXOWTHSZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)CC1CCCO1
Isomeric Smiles
O1C(CCC1)CN1CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3197312
LogD (pH = 7.4)
0.7882581
Log P
1.5180724
Molar Refractivity
79.4918
Polarizability
29.944363
Polar Surface Area
41.73
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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