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Chemical ID: 7053781
Chemical ID:
7053781
Name [?]:
3-hydroxyimino-4,7,7-trimethyl-2-oxo-N-(2,4,5-trichlorophenyl)-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=NO)C(=O)Nc3cc(c(cc3Cl)Cl)Cl)C)C
InChi [?]:
InChI=1/C17H17Cl3N2O3/c1-15(2)16(3)4-5-17(15,13(23)12(16)22-25)14(24)21-11-7-9(19)8(18)6-10(11)20/h6-7,25H,4-5H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,4,5,19,16,18,17,20,15,9,7,12,2,3,6,22,23,21,14,10,8,13,11/E:(1,2)/rA:25cCCCCCCCOCNOCONCCCCCCClClClCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;w9;s10;s6;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;s17;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl3N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8722 |
Area: | 558.317 |
Solvation: | -3.08574 |
Coulombic: | -42.6341 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 403.687 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.17 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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