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Chemical ID: 5281073
Chemical ID:
5281073
Name [?]:
2-chloro-2-phenyl-1-(2,2,4,6-tetramethyl-1-quinolyl)-ethanone
SMILES [?]:
Cc1ccc2c(c1)C(=CC(N2C(=O)C(c3ccccc3)Cl)(C)C)C
InChi [?]:
InChI=1/C21H22ClNO/c1-14-10-11-18-17(12-14)15(2)13-21(3,4)23(18)20(24)19(22)16-8-6-5-7-9-16/h5-13,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,22,23,18,17,19,16,20,3,4,7,9,2,8,15,6,5,14,12,10,21,11,13/E:(3,4)(6,7)(8,9)/rA:24cCCCCCCCCCCNCOCCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s5s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s14;s10;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22ClNO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3574 |
Area: | 522.126 |
Solvation: | -1.69575 |
Coulombic: | -20.5732 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.858 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.86 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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