Molecule

ID:128115

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀ClN
Molecular Mass
297.8218
Exact Mass
297.12842733
Charge
0
InChI
InChI=1S/C19H20ClN/c1-21-11-15-9-14-7-8-16(20)10-17(14)19(18(15)12-21)13-5-3-2-4-6-13/h2-8,10,15,18-19H,9,11-12H2,1H3/t15-,18+,19+/m0/s1
InChIKey
ZHKXDUQRKZQCQV-KFKAGJAMSA-N
Canonic Smiles
CN1C[C@H]2[C@@H](C1)[C@H](c1ccccc1)c1c(C2)ccc(c1)Cl
Isomeric Smiles
Clc1ccc2c(c1)[C@@H](c1ccccc1)[C@H]1[C@@H](C2)CN(C1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0744314
LogD (pH = 7.4)
1.9849123
Log P
4.53428
Molar Refractivity
89.2547
Polarizability
34.609245
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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