Chemical ID: 6314667

Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)O
Chemical ID:
6314667
Name [?]:
2-[4-(2-methyl-3-nitro-benzoyl)aminophenoxy]acetic acid
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)O
InChi [?]:
InChI=1/C16H14N2O6/c1-10-13(3-2-4-14(10)18(22)23)16(21)17-11-5-7-12(8-6-11)24-9-15(19)20/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,15,19,16,18,21,2,14,17,3,7,22,11,13,8,23,24,12,9,10,20/E:(5,6)(7,8)(19,20)(22,23)/CRV:18.5/rA:24nCCCCCCCN+OO-CONCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.12169
Area:530.285
Solvation:-10.1354
Coulombic:-66.0994
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.292
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.29
LogP (Chemaxon):2.81

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