Chemical ID: 4416151

CC1C=CCC2C1C(=O)N(C2=O)c3ccc(cc3)Oc4ccc(cc4Cl)Cl
Chemical ID:
4416151
Name [?]:
2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILES [?]:
CC1C=CCC2C1C(=O)N(C2=O)c3ccc(cc3)Oc4ccc(cc4Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17Cl2NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:11.5531
Area:583.436
Solvation:-3.03276
Coulombic:-34.403
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:402.27
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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