Chemical ID: 6841439

CC1CCCC[NH+]1Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)Cl)O
Chemical ID:
6841439
Name [?]:
3-(4-chlorophenyl)-7-hydroxy-8-[(2-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)methyl]chromen-4-one
SMILES [?]:
CC1CCCC[NH+]1Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)Cl)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClNO3+
All Atoms:50
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:-14.6769
Area:574.864
Solvation:-29.0485
Coulombic:-6.56173
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:384.876
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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