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Chemical ID: 7053763
Chemical ID:
7053763
Name [?]:
N-(2-chlorophenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=NO)C(=O)Nc3ccccc3Cl)C)C
InChi [?]:
InChI=1/C17H19ClN2O3/c1-15(2)16(3)8-9-17(15,13(21)12(16)20-23)14(22)19-11-7-5-4-6-10(11)18/h4-7,23H,8-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,18,17,19,16,4,5,20,15,9,7,12,2,3,6,21,14,10,8,13,11/E:(1,2)/rA:23cCCCCCCCOCNOCONCCCCCCClCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;w9;s10;s6;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2O3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.38804 |
Area: | 497.354 |
Solvation: | -3.0458 |
Coulombic: | -43.0402 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.797 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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