Molecule

ID:76199

General Information
Structure
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-15-14(13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7,14-15H,8-12H2,1-2H3
InChIKey
KFLLDKIXAMGZLH-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccccc1)CN1CCN(CC1)C
Isomeric Smiles
N1(CC(c2ccccc2)NC)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.187232
LogD (pH = 7.4)
-1.2230633
Log P
1.4571258
Molar Refractivity
73.0454
Polarizability
28.963552
Polar Surface Area
18.51
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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