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Chemical ID: 4244265
Chemical ID:
4244265
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C
InChi [?]:
InChI=1/C18H22ClNO2/c1-11-5-6-12(9-13(11)19)20-15(22)18-8-7-17(4,14(21)10-18)16(18,2)3/h5-6,9H,7-8,10H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,22,3,4,14,13,6,21,2,5,7,19,10,16,15,12,8,9,20,11/E:(2,3)/rA:22cCCCCCCCClNCOCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s12s15;s16;s16;s15;d19;s12s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.55124 |
Area: | 498.326 |
Solvation: | -2.90692 |
Coulombic: | -28.4263 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.826 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.08 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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