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Chemical ID: 4741991
Chemical ID:
4741991
Name [?]:
1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILES [?]:
C1CCC(CC1)N2CC(=C(C2=O)O)C(=O)N
InChi [?]:
InChI=1/C11H16N2O3/c12-10(15)8-6-13(11(16)9(8)14)7-4-2-1-3-5-7/h7,14H,1-6H2,(H2,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,9,10,14,11,16,7,13,15,12/E:(2,3)(4,5)/rA:16nCCCCCCNCCCCOOCON/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20938 |
Area: | 391.58 |
Solvation: | -3.58011 |
Coulombic: | -58.4166 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 224.256 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.78 |
LogP (Chemaxon): | -0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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