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Chemical ID: 4457809
Chemical ID:
4457809
Name [?]:
N-(2-chlorophenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=O)C(=O)Nc3ccccc3Cl)C)C
InChi [?]:
InChI=1/C17H18ClNO3/c1-15(2)16(3)8-9-17(15,13(21)12(16)20)14(22)19-11-7-5-4-6-10(11)18/h4-7H,8-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,17,16,18,15,4,5,19,14,9,7,11,2,3,6,20,13,10,8,12/E:(1,2)/rA:22cCCCCCCCOCOCONCCCCCCClCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.85966 |
Area: | 481.629 |
Solvation: | -3.18107 |
Coulombic: | -37.9628 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.69 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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