Chemical ID: 6211544

COc1ccc(cc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)Cl
Chemical ID:
6211544
Name [?]:
2-[(5-chloro-2-methoxy-phenyl)carbamoyl]terephthalic acid
SMILES [?]:
COc1ccc(cc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)Cl
InChi [?]:
InChI=1/C16H12ClNO6/c1-24-13-5-3-9(17)7-12(13)18-14(19)11-6-8(15(20)21)2-4-10(11)16(22)23/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,5,16,4,13,7,14,6,17,12,8,3,10,21,18,24,9,11,22,23,19,20,2/E:(20,21)(22,23)/rA:24nCOCCCCCCNCOCCCCCCCOOCOOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClNO6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.30184
Area:535.509
Solvation:-5.08589
Coulombic:-82.4719
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.722
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.76
LogP (Chemaxon):2.4

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