ChemDB: Chemical Search
Download
Chemical ID: 4308694
Chemical ID:
4308694
Name [?]:
(2-amino-5-methyl-phenyl)-phenyl-methanone
SMILES [?]:
Cc1ccc(c(c1)C(=O)c2ccccc2)N
InChi [?]:
InChI=1/C14H13NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,4,7,2,10,6,5,8,16,9/E:(3,4)(5,6)/rA:16nCCCCCCCCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09682 |
Area: | 391.874 |
Solvation: | -1.70003 |
Coulombic: | -27.9456 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.6 |
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 |
---|