Chemical ID: 7149035

c1cc(ccc1C2CC(n3c(cc(n3)C(=O)NN)N2)C(F)(F)F)F
Chemical ID:
7149035
Name [?]:
4-(4-fluorophenyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carbohydrazide
SMILES [?]:
c1cc(ccc1C2CC(n3c(cc(n3)C(=O)NN)N2)C(F)(F)F)F
InChi [?]:
InChI=1/C14H13F4N5O/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)23-12(20-9)6-10(22-23)13(24)21-19/h1-4,6,9,11,20H,5,19H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,12,6,3,7,13,9,11,15,20,24,21,22,23,18,19,17,14,10,16/E:(1,2)(3,4)(16,17,18)/rA:24cCCCCCCCCCNCCCNCONNNCFFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s12;s10d13;s13;d15;s15;s17;s7s11;s9;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13F4N5O
All Atoms:37
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:7.36456
Area:490.954
Solvation:-4.90929
Coulombic:-67.0965
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.28
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):1.78

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