ChemDB: Chemical Search
Download
Chemical ID: 4255475
Chemical ID:
4255475
Name [?]:
6-chloro-4-phenyl-1H-quinazolin-2-one
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3[nH]c(=O)n2)Cl
InChi [?]:
InChI=1/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,12,9,4,10,8,13,7,15,18,14,17,16/E:(2,3)(4,5)/rA:18nCCCCCCCCCCCCCNCONCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;d7s15;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85876 |
Area: | 422.695 |
Solvation: | -1.70862 |
Coulombic: | -31.4966 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.687 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.02 |
LogP (Chemaxon): | 4.2 |
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 |
---|