Chemical ID: 6527262

COc1ccc(cc1NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O
Chemical ID:
6527262
Name [?]:
3-[(3,4-dichlorophenyl)carbamoylamino]-4-methoxy-benzoic acid
SMILES [?]:
COc1ccc(cc1NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C15H12Cl2N2O4/c1-23-13-5-2-8(14(20)21)6-12(13)19-15(22)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H,20,21)(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,14,15,4,7,18,6,13,16,17,8,3,21,10,20,19,12,9,22,23,11,2/E:(20,21)/rA:23nCOCCCCCCNCONCCCCCCClClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.76233
Area:542.48
Solvation:-3.79966
Coulombic:-69.6264
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.172
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.26
LogP (Chemaxon):3.8

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