ChemDB: Chemical Search
Download
Chemical ID: 5865110
Chemical ID:
5865110
Name [?]:
4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-3-methoxy-benzoic acid
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2OC)C(=O)O
InChi [?]:
InChI=1/C17H16ClNO5/c1-10-3-5-12(8-13(10)18)19-16(20)9-24-14-6-4-11(17(21)22)7-15(14)23-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,3,16,4,15,18,6,12,2,17,5,7,14,19,10,22,8,9,11,23,24,20,13/E:(21,22)/rA:24nCCCCCCCClNCOCOCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97912 |
Area: | 560.997 |
Solvation: | -7.04582 |
Coulombic: | -61.4295 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.765 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.78 |
LogP (Chemaxon): | 3.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|