ChemDB: Chemical Search
Download
Chemical ID: 5607801
Chemical ID:
5607801
Name [?]:
2-(4-chlorophenyl)benzooxazol-6-amine
SMILES [?]:
c1cc(ccc1c2nc3ccc(cc3o2)N)Cl
InChi [?]:
InChI=1/C13H9ClN2O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,10,13,6,3,12,9,14,7,17,16,8,15/E:(1,2)(3,4)/rA:17nCCCCCCCNCCCCCCONCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9ClN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08253 |
Area: | 421.861 |
Solvation: | -1.46398 |
Coulombic: | -32.8461 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 244.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.75 |
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 |
---|