Chemical ID: 6123859

c1ccc(c(c1)c2[nH]nc(n2)C=Cc3ccccn3)O
Chemical ID:
6123859
Name [?]:
2-[5-[2-(2-pyridyl)vinyl]-2H-1,2,4-triazol-3-yl]phenol
SMILES [?]:
c1ccc(c(c1)c2[nH]nc(n2)C=Cc3ccccn3)O
InChi [?]:
InChI=1/C15H12N4O/c20-13-7-2-1-6-12(13)15-17-14(18-19-15)9-8-11-5-3-4-10-16-11/h1-10,20H,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,6,3,13,12,18,14,5,4,10,7,19,11,9,8,20/rA:20nCCCCCCCNNCNCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;d7s10;s10;w12;s13;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.24869
Area:440.194
Solvation:-3.75616
Coulombic:-37.0883
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:264.282
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.85
LogP (Chemaxon):3.78

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Descriptor Annotations

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