Molecule

ID:19097

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-12-3-5-13(6-4-12)14(11-15)17-9-7-16(2)8-10-17/h3-6,14H,7-11,15H2,1-2H3
InChIKey
GZRKBYUICLDFCD-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)N1CCN(CC1)C
Isomeric Smiles
N1(C(c2ccc(cc2)C)CN)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7762072
LogD (pH = 7.4)
-0.71512526
Log P
1.5379668
Molar Refractivity
73.312
Polarizability
28.882555
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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