Molecule

ID:35325

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClN₂
Molecular Mass
276.80434
Exact Mass
276.13932636
Charge
0
InChI
InChI=1S/C16H21ClN2/c1-13-8-9-14(2)19(13)11-5-10-18-12-15-6-3-4-7-16(15)17/h3-4,6-9,18H,5,10-12H2,1-2H3
InChIKey
PXKHNUFBXHBLGR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCCCn1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)CCCNCc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6424109
LogD (pH = 7.4)
2.0817463
Log P
3.7000027
Molar Refractivity
83.0201
Polarizability
31.842127
Polar Surface Area
16.96
Rotatable Bonds
6
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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