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Chemical ID: 4822449
Chemical ID:
4822449
Name [?]:
8-chloro-2-phenyl-quinoline-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2cc(c3cccc(c3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C16H10ClNO2/c17-13-8-4-7-11-12(16(19)20)9-14(18-15(11)13)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,11,13,8,4,10,9,14,7,15,18,17,16,19,20/E:(2,3)(5,6)(19,20)/rA:20nCCCCCCCCCCCCCCCNClCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s14;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42347 |
Area: | 456.236 |
Solvation: | -1.98243 |
Coulombic: | -35.7877 |
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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