Chemical ID: 5147748

COc1ccccc1c2cc(c3cc(ccc3n2)Cl)C(=O)O
Chemical ID:
5147748
Name [?]:
6-chloro-2-(2-methoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccccc1c2cc(c3cc(ccc3n2)Cl)C(=O)O
InChi [?]:
InChI=1/C17H12ClNO3/c1-22-16-5-3-2-4-11(16)15-9-13(17(20)21)12-8-10(18)6-7-14(12)19-15/h2-9H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,15,16,13,10,14,8,12,11,17,9,3,20,19,18,21,22,2/E:(20,21)/rA:22nCOCCCCCCCCCCCCCCCNClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s14;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.53418
Area:490.538
Solvation:-3.72928
Coulombic:-40.6118
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.735
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):4.0

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Descriptor Annotations

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