Chemical ID: 4822449

c1ccc(cc1)c2cc(c3cccc(c3n2)Cl)C(=O)O
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

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