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Chemical ID: 7004816
Chemical ID:
7004816
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3=O)C
InChi [?]:
InChI=1/C18H20ClNO3/c1-10-11(19)6-5-7-12(10)20-15(23)18-9-8-17(4,16(18,2)3)13(21)14(18)22/h5-7H,8-9H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,17,18,23,5,6,4,14,13,2,7,3,19,21,10,16,15,12,8,9,20,22,11/E:(2,3)/rA:23cCCCCCCCClNCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;d19;s12s19;d21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.26777 |
Area: | 502.575 |
Solvation: | -3.29661 |
Coulombic: | -37.3793 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 333.809 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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