IUPAC name
(1R,2R)-rel-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol
SMILES
C1CC[C@H]([C@@](CC1)(c1ccc(cc1)Cl)O)n1cncn1.C1CC[C@@H]([C@](CC1)(c1ccc(cc1)Cl)O)n1cncn1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
huanjunzuo
IUPAC name
(1R,2R)-rel-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol
SMILES
C1CC[C@H]([C@@](CC1)(c1ccc(cc1)Cl)O)n1cncn1.C1CC[C@@H]([C@](CC1)(c1ccc(cc1)Cl)O)n1cncn1
INCHI
InChI=1S/2C15H18ClN3O/c2*16-13-7-5-12(6-8-13)15(20)9-3-1-2-4-14(15)19-11-17-10-18-19/h2*5-8,10-11,14,20H,1-4,9H2/t2*14-,15-/m10/s1
FORMULA
C15H18ClN3O
Common name
huanjunzuo
IUPAC name
(1R,2R)-rel-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol
Molecular weight
291.776
clogP
2.505
clogS
-3.384
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
3
Rotatable Bond
2
