ChemDB: Chemical Search
Download
Chemical ID: 4763320
Chemical ID:
4763320
Name [?]:
3-(2,3-dihydrobenzofuran-5-yl)-1H-pyrazole
SMILES [?]:
c1cc2c(cc1c3cc[nH]n3)CCO2
InChi [?]:
InChI=1/C11H10N2O/c1-2-11-9(4-6-14-11)7-8(1)10-3-5-12-13-10/h1-3,5,7H,4,6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,12,9,13,5,6,4,7,3,10,11,14/rA:14nCCCCCCCCCNNCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s4;s12;s3s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88824 |
Area: | 350.504 |
Solvation: | -2.87436 |
Coulombic: | -16.8652 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.21 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.19 |
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 |
---|