Chemical ID: 4709477

c1cc(cnc1)c2nc3cc(ccc3o2)CC(=O)O
Chemical ID:
4709477
Name [?]:
2-[2-(3-pyridyl)benzooxazol-5-yl]acetic acid
SMILES [?]:
c1cc(cnc1)c2nc3cc(ccc3o2)CC(=O)O
InChi [?]:
InChI=1/C14H10N2O3/c17-13(18)7-9-3-4-12-11(6-9)16-14(19-12)10-2-1-5-15-8-10/h1-6,8H,7H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,10,16,4,11,3,9,14,17,7,5,8,18,19,15/E:(17,18)/rA:19nCCCCNCCNCCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s3;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.69989
Area:440.103
Solvation:-3.30268
Coulombic:-44.8751
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.34
LogP (Chemaxon):1.74

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