Molecule

ID:19367

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃O
Molecular Mass
249.35192
Exact Mass
249.18411237
Charge
0
InChI
InChI=1S/C14H23N3O/c1-16(2)13-5-3-12(4-6-13)14(11-15)17-7-9-18-10-8-17/h3-6,14H,7-11,15H2,1-2H3
InChIKey
SBMPCTJRUNJPHO-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)N(C)C)N1CCOCC1
Isomeric Smiles
N1(C(c2ccc(N(C)C)cc2)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0204823
LogD (pH = 7.4)
-0.5520961
Log P
1.0669693
Molar Refractivity
75.7238
Polarizability
29.221886
Polar Surface Area
41.73
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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