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Chemical ID: 4709477
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
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Experimental Annotations
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Descriptor Annotations
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