Chemical ID: 6194110

CC1CCC2C(C1)C(=O)N(C2=O)c3ccc(cc3)C(=O)O
Chemical ID:
6194110
Name [?]:
4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid
SMILES [?]:
CC1CCC2C(C1)C(=O)N(C2=O)c3ccc(cc3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:8.51279
Area:457.654
Solvation:-2.92856
Coulombic:-52.2006
Bond Count [?]
All:23
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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