ChemDB: Chemical Search
Download
Chemical ID: 7298801
Chemical ID:
7298801
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-cyano-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H11ClN2O/c1-10-2-7-13(8-14(10)16)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,16,13,17,4,6,18,2,15,12,5,7,10,8,19,9,11/E:(3,4)(5,6)/rA:19nCCCCCCCClNCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2O |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57435 |
Area: | 472.005 |
Solvation: | -2.22578 |
Coulombic: | -26.38 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.713 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.9 |
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 |
---|