ChemDB: Chemical Search
Download
Chemical ID: 5529370
Chemical ID:
5529370
Name [?]:
3-[(3-chlorophenyl)methylene]-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=Cc3cccc(c3)Cl)C1=O
InChi [?]:
InChI=1/C16H12ClNO/c1-18-15-8-3-2-7-13(15)14(16(18)19)10-11-5-4-6-12(17)9-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,13,12,14,7,4,16,10,11,15,8,9,3,18,17,2,19/rA:19nCNCCCCCCCCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s2s9;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38364 |
Area: | 441.923 |
Solvation: | -1.66445 |
Coulombic: | -20.1021 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 269.725 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.43 |
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 |
---|