Chemical ID: 4253854

c1ccc(cc1)c2cc(c3cc(ccc3n2)Cl)C(=O)O
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

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Descriptor Annotations

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