ChemDB: Chemical Search
Download
Chemical ID: 4110311
Chemical ID:
4110311
Name [?]:
2-chloro-1-phenyl-indole-3-carbaldehyde
SMILES [?]:
c1ccc(cc1)n2c3ccccc3c(c2Cl)C=O
InChi [?]:
InChI=1/C15H10ClNO/c16-15-13(10-18)12-8-4-5-9-14(12)17(15)11-6-2-1-3-7-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,5,12,9,17,4,13,14,8,15,16,7,18/E:(2,3)(6,7)/rA:18nCCCCCCNCCCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s15;s14;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87209 |
Area: | 418.594 |
Solvation: | -2.59277 |
Coulombic: | -15.4811 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.699 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.29 |
LogP (Chemaxon): | 3.91 |
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 |
---|