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Chemical ID: 7053729
Chemical ID:
7053729
Name [?]:
N-(3,4-dimethylphenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C23CCC(C2(C)C)(C(=NO)C3=O)C
InChi [?]:
InChI=1/C19H24N2O3/c1-11-6-7-13(10-12(11)2)20-16(23)19-9-8-18(5,17(19,3)4)14(21-24)15(19)22/h6-7,10,24H,8-9H2,1-5H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,8,17,18,24,3,4,14,13,6,2,7,5,19,22,10,16,15,12,9,20,23,11,21/E:(3,4)/rA:24cCCCCCCCCNCOCCCCCCCCNOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;w19;s20;s12s19;d22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.56182 |
Area: | 514.815 |
Solvation: | -3.30856 |
Coulombic: | -41.8118 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.18 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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