Molecule

ID:89640

General Information
Structure
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-15-12-13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKey
OEVIJYRNRIFBSO-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1N1CCCN(CC1)C
Isomeric Smiles
N(Cc1c(cccc1)N1CCCN(CC1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6916776
LogD (pH = 7.4)
-1.8408769
Log P
1.5467178
Molar Refractivity
74.6501
Polarizability
28.559542
Polar Surface Area
18.51
Rotatable Bonds
3
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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