Molecule

ID:62199

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆ClN₃O
Molecular Mass
347.88224
Exact Mass
347.17644015
Charge
0
InChI
InChI=1S/C19H25N3O.ClH/c1-22(2)19(23)16-11-18(14-9-7-13(12-20)8-10-14)21-17-6-4-3-5-15(16)17;/h3-6,11,13-14H,7-10,12,20H2,1-2H3;1H/t13-,14-;
InChIKey
PXYCDSCYEHQGSV-SKKCDYJJSA-N
Canonic Smiles
NC[C@@H]1CC[C@H](CC1)c1nc2ccccc2c(c1)C(=O)N(C)C.Cl
Isomeric Smiles
c1(C(=O)N(C)C)cc(nc2c1cccc2)[C@@H]1CC[C@H](CC1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.53067786
LogD (pH = 7.4)
-0.11820982
Log P
2.4951777
Molar Refractivity
92.7026
Polarizability
37.10845
Polar Surface Area
59.22
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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