ChemDB: Chemical Search
Download
Chemical ID: 5173825
Chemical ID:
5173825
Name [?]:
(4-aminophenyl) benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)N
InChi [?]:
InChI=1/C13H11NO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,14,11,15,4,13,10,7,16,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33504 |
Area: | 398.573 |
Solvation: | -1.6293 |
Coulombic: | -38.1827 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.49 |
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 |
---|