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Chemical ID: 4253854
Chemical ID:
4253854
Name [?]:
6-chloro-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2cc(c3cc(ccc3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H10ClNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,8,4,12,10,9,15,7,18,17,16,19,20/E:(2,3)(4,5)(19,20)/rA:20nCCCCCCCCCCCCCCCNClCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60997 |
Area: | 462.926 |
Solvation: | -1.96318 |
Coulombic: | -35.3064 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.709 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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