Chemical ID: 6117582

c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccccc3O
Chemical ID:
6117582
Name [?]:
2-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccccc3O
InChi [?]:
InChI=1/C16H11F3N2O/c17-16(18,19)15-10-13(12-8-4-5-9-14(12)22)21(20-15)11-6-2-1-3-7-11/h1-10,22H
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,3,5,17,20,9,4,16,8,21,10,12,13,14,15,11,7,22/E:(2,3)(6,7)(17,18,19)/rA:22nCCCCCCNCCCNCFFFCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;s12;s12;s8;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11F3N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.20636
Area:451.346
Solvation:-3.07728
Coulombic:-42.6305
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.267
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.55
LogP (Chemaxon):4.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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