Molecule

ID:104760

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂ClN₃
Molecular Mass
291.81898
Exact Mass
291.1502254
Charge
0
InChI
InChI=1S/C16H21N3.ClH/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;1H
InChIKey
FSSICIQKZGUEAE-UHFFFAOYSA-N
Canonic Smiles
CN(CCN(c1ccccn1)Cc1ccccc1)C.Cl
Isomeric Smiles
Cl.CN(C)CCN(Cc1ccccc1)c1ncccc1
Calculated Properties
Provided by Enamine
CLogP
3.31
H Donor
0
Polar Surface Area
19.37
Rotatable Bonds
6
JChem
Polar Surface Area
19.37
H Donor
0
H Acceptors
3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Log P
3.20
LogD (pH = 5.5)
-0.07
LogD (pH = 7.4)
1.82
Molar Refractivity
81.27
Polarizability
30.87
LOG S
-2.42
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
References
Bioactivity
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