Molecule

ID:77011

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-12(2)11-16-7-9-17(10-8-16)14-5-3-13(15)4-6-14/h3-6,12H,7-11,15H2,1-2H3
InChIKey
NHDZQBPHYHPPEE-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCN(CC1)c1ccc(cc1)N)C
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CC(C)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.144608
LogD (pH = 7.4)
0.8260769
Log P
2.3437865
Molar Refractivity
74.9813
Polarizability
28.162628
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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