Molecule

ID:671

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃
Molecular Mass
255.35804
Exact Mass
255.17354769
Charge
0
InChI
InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey
UFLGIAIHIAPJJC-UHFFFAOYSA-N
Canonic Smiles
CN(CCN(c1ccccn1)Cc1ccccc1)C
Isomeric Smiles
N(CCN(C)C)(Cc1ccccc1)c1ncccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.067917235
LogD (pH = 7.4)
1.8188069
Log P
3.2011924
Molar Refractivity
81.2749
Polarizability
30.94271
Polar Surface Area
19.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.05
LOG S
-1.95
Solubility (Water)
2.84e+00 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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