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Chemical ID: 4682613
Chemical ID:
4682613
Name [?]:
1-(2-furyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2c3ccco3
InChi [?]:
InChI=1/C10H7N3O/c1-2-5-9-8(4-1)11-12-13(9)10-6-3-7-14-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,12,6,3,11,13,5,4,10,7,8,9,14/rA:14nCCCCCCNNNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5155 |
Area: | 340.712 |
Solvation: | -2.00231 |
Coulombic: | -13.447 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 185.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.69 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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