Chemical ID: 6323608

c1ccc(cc1)NC(=O)OCn2cncn2
Chemical ID:
6323608
Name [?]:
1,2,4-triazol-1-ylmethyl anilinoformate
SMILES [?]:
c1ccc(cc1)NC(=O)OCn2cncn2
InChi [?]:
InChI=1/C10H10N4O2/c15-10(13-9-4-2-1-3-5-9)16-8-14-7-11-6-12-14/h1-7H,8H2,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,13,11,4,8,14,16,7,12,9,10/E:(2,3)(4,5)/rA:16nCCCCCCNCOOCNCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.63989
Area:404.166
Solvation:-2.46427
Coulombic:-43.8846
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.212
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):1.7

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Descriptor Annotations

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