Chemical ID: 4706552

c1cc(ccc1n2cc(nn2)CO)Cl
Chemical ID:
4706552
Name [?]:
[1-(4-chlorophenyl)triazol-4-yl]methanol
SMILES [?]:
c1cc(ccc1n2cc(nn2)CO)Cl
InChi [?]:
InChI=1/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,8,12,3,9,6,14,10,11,7,13/E:(1,2)(3,4)/rA:14nCCCCCCNCCNNCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClN3O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.01943
Area:379.724
Solvation:-2.47368
Coulombic:-21.3485
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.632
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.29
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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