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Chemical ID: 6488163
Chemical ID:
6488163
Name [?]:
N-(1,3-dioxo-2-phenyl-isoindolin-4-yl)acetamide
SMILES [?]:
CC(=O)Nc1cccc2c1C(=O)N(C2=O)c3ccccc3
InChi [?]:
InChI=1/C16H12N2O3/c1-10(19)17-13-9-5-8-12-14(13)16(21)18(15(12)20)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,17,21,8,6,2,16,9,5,10,14,11,4,13,3,15,12/E:(3,4)(6,7)/rA:21nCCONCCCCCCCONCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56291 |
Area: | 449.692 |
Solvation: | -2.6794 |
Coulombic: | -46.4645 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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