Chemical ID: 4763320

c1cc2c(cc1c3cc[nH]n3)CCO2
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue