Chemical ID: 3966663

c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
Chemical ID:
3966663
Name [?]:
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILES [?]:
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
InChi [?]:
InChI=1/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,5,10,16,14,20,12,18,6,3,4,9,7,8,13,19,15,21,11,17,22/E:(4,5)(6,7)(8,9)(16,17)(18,19)(20,21)/rA:22nCCCCCCFFCCNCNCNCNCNCNO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;d12;s13;s11d14;s9;s16;s17;d18;s19;s17d20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12F2N6O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.65906
Area:449.344
Solvation:-5.57454
Coulombic:-42.4883
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.271
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.38
LogP (Chemaxon):0.26

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Descriptor Annotations

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