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Chemical ID: 7053176
Chemical ID:
7053176
Name [?]:
N-(5-chloro-2-methyl-phenyl)-3-hydroxyimino-4,7,7-trimethyl-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C23CCC(C2(C)C)(C(=NO)C3)C)Cl
InChi [?]:
InChI=1/C18H23ClN2O2/c1-11-5-6-12(19)9-13(11)20-15(22)18-8-7-17(4,16(18,2)3)14(10-18)21-23/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,22,3,4,13,12,6,21,2,5,7,18,9,15,14,11,23,8,19,10,20/E:(2,3)/rA:23cCCCCCCCNCOCCCCCCCCNOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;s15;s14;w18;s19;s11s18;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1956 |
Area: | 514.803 |
Solvation: | -2.67445 |
Coulombic: | -34.1513 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.84 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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