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Chemical ID: 7183233
Chemical ID:
7183233
Name [?]:
2-(3-chlorophenyl)-3,6-dimethyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(c(c(n2)c3cccc(c3)Cl)C)C(=O)[O-]
InChi [?]:
InChI=1/C18H14ClNO2/c1-10-6-7-15-14(8-10)16(18(21)22)11(2)17(20-15)12-4-3-5-13(19)9-12/h3-9H,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,14,13,15,3,4,7,17,2,9,12,16,6,5,8,10,20,18,11,21,22/E:(21,22)/rA:22nCCCCCCCCCCNCCCCCCClCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s16;s9;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClNO2- |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.6018 |
Area: | 495.383 |
Solvation: | -41.9864 |
Coulombic: | -9.63611 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.754 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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