Chemical ID: 6715608

c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
Chemical ID:
6715608
Name [?]:
2-(4-phenyltriazol-1-yl)acetate
SMILES [?]:
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
InChi [?]:
InChI=1/C10H9N3O2/c14-10(15)7-13-6-9(11-12-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,4,7,13,11,10,9,14,15/E:(2,3)(4,5)(14,15)/rA:15nCCCCCCCCNNNCCOO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N3O2-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.4254
Area:377.126
Solvation:-44.8536
Coulombic:-3.76406
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.19
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.75
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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