Chemical ID: 6724712

Cc1ccccc1OCC(=O)Nc2ccccc2C(=O)[O-]
Chemical ID:
6724712
Name [?]:
2-[2-(2-methylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H15NO4/c1-11-6-2-5-9-14(11)21-10-15(18)17-13-8-4-3-7-12(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,16,15,5,3,17,14,6,9,2,18,13,7,10,19,12,11,20,21,8/E:(19,20)/rA:21nCCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14NO4-
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-30.3552
Area:481.974
Solvation:-42.4045
Coulombic:-32.3051
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.287
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.68
LogP (Chemaxon):3.51

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Descriptor Annotations

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