Molecule

ID:35554

General Information
Structure
Molecular Formula
C₁₄H₂₃N₃O
Molecular Mass
249.35192
Exact Mass
249.18411237
Charge
0
InChI
InChI=1S/C14H23N3O/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,7-12,15H2,1H3
InChIKey
VHYFECUKHCCEAK-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCN(CC1)c1ccc(cc1)OC
Isomeric Smiles
N1(c2ccc(cc2)OC)CCN(CC1)CCCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.829958
LogD (pH = 7.4)
-1.8249784
Log P
1.0337139
Molar Refractivity
75.8151
Polarizability
29.208908
Polar Surface Area
41.73
Rotatable Bonds
5
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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