Chemical ID: 5609248

COC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)N
Chemical ID:
5609248
Name [?]:
methyl 4-(5-amino-1,3-dioxo-isoindolin-2-yl)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N2C(=O)c3ccc(cc3C2=O)N
InChi [?]:
InChI=1/C16H12N2O4/c1-22-16(21)9-2-5-11(6-3-9)18-14(19)12-7-4-10(17)8-13(12)15(18)20/h2-8H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,16,7,9,15,18,5,17,8,14,19,12,20,3,22,11,13,21,4,2/E:(2,3)(5,6)/rA:22nCOCOCCCCCCNCOCCCCCCCON/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;d20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.11191
Area:480.884
Solvation:-2.9102
Coulombic:-62.4753
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.278
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.82
LogP (Chemaxon):1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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