Chemical ID: 4319254

c1cnccc1C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
Chemical ID:
4319254
Name [?]:
[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-pyridyl)methanone
SMILES [?]:
c1cnccc1C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
InChi [?]:
InChI=1/C14H14F3N3O2/c15-14(16,17)13(22)10-3-1-2-4-11(10)19-20(13)12(21)9-5-7-18-8-6-9/h5-8,10,22H,1-4H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,5,2,4,6,11,16,7,10,18,19,20,21,3,17,9,8,22/E:(5,6)(7,8)(15,16,17)/rA:22cCCNCCCCONCCCCCCCNCFFFO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;s9d16;s10;s18;s18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14F3N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.07774
Area:439.712
Solvation:-2.91505
Coulombic:-57.821
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.275
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):3.26

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Descriptor Annotations

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