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Chemical ID: 4706552
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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