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Chemical ID: 6178863
Chemical ID:
6178863
Name [?]:
N-(2-methyl-1,3-dioxo-isoindolin-5-yl)cyclopropanecarboxamide
SMILES [?]:
CN1C(=O)c2ccc(cc2C1=O)NC(=O)C3CC3
InChi [?]:
InChI=1/C13H12N2O3/c1-15-12(17)9-5-4-8(6-10(9)13(15)18)14-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,18,7,6,9,16,8,5,10,14,3,11,13,2,15,4,12/E:(2,3)/rA:18nCNCOCCCCCCCONCOCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s2s10;d11;s8;s13;d14;s14;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61115 |
Area: | 425.727 |
Solvation: | -3.03203 |
Coulombic: | -45.2458 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.246 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.59 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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