Chemical ID: 4379510

c1cc(sc1)C(=O)Nc2ccc(cc2C(=O)O)Cl
Chemical ID:
4379510
Name [?]:
5-chloro-2-(2-thienylcarbonylamino)benzoic acid
SMILES [?]:
c1cc(sc1)C(=O)Nc2ccc(cc2C(=O)O)Cl
InChi [?]:
InChI=1/C12H8ClNO3S/c13-7-3-4-9(8(6-7)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,13,12,14,9,3,6,15,18,8,7,16,17,4/E:(16,17)/rA:18nCCCSCCONCCCCCCCOOCl/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClNO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.01248
Area:445.225
Solvation:-2.11813
Coulombic:-50.5626
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.716
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):3.2

Name Annotations

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Descriptor Annotations

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