Chemical ID: 4291290

COc1ccc(cc1)N2C(=O)C3CCCCC3C2=O
Chemical ID:
4291290
Name [?]:
2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILES [?]:
COc1ccc(cc1)N2C(=O)C3CCCCC3C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.1678
Area:423.083
Solvation:-3.40927
Coulombic:-31.5294
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.3
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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