ChemDB: Chemical Search
Download
Chemical ID: 6326570
Chemical ID:
6326570
Name [?]:
N-(benzylideneaminocarbamoylmethyl)-2-chloro-benzamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H14ClN3O2/c17-14-9-5-4-8-13(14)16(22)18-11-15(21)20-19-10-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,7,12,4,16,21,10,14,22,13,8,9,11,15/E:(2,3)(6,7)/rA:22nCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16912 |
Area: | 527.145 |
Solvation: | -4.00951 |
Coulombic: | -42.0222 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.754 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.79 |
LogP (Chemaxon): | 2.68 |
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 |
---|