ChemDB: Chemical Search
Download
Chemical ID: 6675738
Chemical ID:
6675738
Name [?]:
(4-methoxyphenyl) (5-chloro-2-methyl-phenyl)aminoformate
SMILES [?]:
Cc1ccc(cc1NC(=O)Oc2ccc(cc2)OC)Cl
InChi [?]:
InChI=1/C15H14ClNO3/c1-10-3-4-11(16)9-14(10)17-15(18)20-13-7-5-12(19-2)6-8-13/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,3,4,14,16,13,17,6,2,5,15,12,7,9,20,8,10,18,11/E:(5,6)(7,8)/rA:20nCCCCCCCNCOOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38381 |
Area: | 488.552 |
Solvation: | -2.82998 |
Coulombic: | -41.49 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.41 |
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 |
---|