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Chemical ID: 7053780
Chemical ID:
7053780
Name [?]:
N-(2,4-dichlorophenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=NO)C(=O)Nc3ccc(cc3Cl)Cl)C)C
InChi [?]:
InChI=1/C17H18Cl2N2O3/c1-15(2)16(3)6-7-17(15,13(22)12(16)21-24)14(23)20-11-5-4-9(18)8-10(11)19/h4-5,8,24H,6-7H2,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,17,16,4,5,19,18,20,15,9,7,12,2,3,6,22,21,14,10,8,13,11/E:(1,2)/rA:24cCCCCCCCOCNOCONCCCCCCClClCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;w9;s10;s6;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18Cl2N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.3013 |
Area: | 532.622 |
Solvation: | -3.01424 |
Coulombic: | -42.8387 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.55 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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