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Chemical ID: 6478348
Chemical ID:
6478348
Name [?]:
2-chloro-3-(5-isopropyl-2-methyl-phenyl)amino-5-phenyl-cyclohex-2-en-1-one
SMILES [?]:
Cc1ccc(cc1NC2=C(C(=O)CC(C2)c3ccccc3)Cl)C(C)C
InChi [?]:
InChI=1/C22H24ClNO/c1-14(2)17-10-9-15(3)19(11-17)24-20-12-18(13-21(25)22(20)23)16-7-5-4-6-8-16/h4-11,14,18,24H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,19,18,20,17,21,3,4,6,15,13,23,2,16,5,14,7,9,11,10,22,8,12/E:(1,2)(5,6)(7,8)/rA:25cCCCCCCCNCCCOCCCCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;s13;s9s14;s14;s16;d17;s18;d19;d16s20;s10;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24ClNO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.641 |
Area: | 564.089 |
Solvation: | -2.46126 |
Coulombic: | -21.7133 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.885 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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