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Chemical ID: 7310485
Chemical ID:
7310485
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CC2CC3CCC2C3)Cl
InChi [?]:
InChI=1/C16H20ClNO/c1-10-2-5-14(17)9-15(10)18-16(19)8-13-7-11-3-4-12(13)6-11/h2,5,9,11-13H,3-4,6-8H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,4,18,13,11,6,2,14,17,12,5,7,9,19,8,10/rA:19cCCCCCCCNCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s14s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20ClNO |
All Atoms: | 39 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.93319 |
Area: | 463.873 |
Solvation: | -1.66365 |
Coulombic: | -21.7031 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.789 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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