Chemical ID: 4682613

c1ccc2c(c1)nnn2c3ccco3
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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