Chemical ID: 4611522

COc1ccccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O
Chemical ID:
4611522
Name [?]:
2-[(2-methoxyphenyl)carbamoyl]terephthalic acid
SMILES [?]:
COc1ccccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C16H13NO6/c1-23-13-5-3-2-4-12(13)17-14(18)11-8-9(15(19)20)6-7-10(11)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,15,16,13,14,17,12,8,3,10,21,18,9,11,22,23,19,20,2/E:(19,20)(21,22)/rA:23nCOCCCCCCNCOCCCCCCCOOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.41604
Area:502.331
Solvation:-5.14224
Coulombic:-82.6386
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.278
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.14
LogP (Chemaxon):1.88

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