Chemical ID: 4710913

c1ccc2c(c1)c(=O)n(c(n2)CCl)c3cccc(c3)C(F)(F)F
Chemical ID:
4710913
Name [?]:
2-(chloromethyl)-3-[3-(trifluoromethyl)phenyl]-quinazolin-4-one
SMILES [?]:
c1ccc2c(c1)c(=O)n(c(n2)CCl)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H10ClF3N2O/c17-9-14-21-13-7-2-1-6-12(13)15(23)22(14)11-5-3-4-10(8-11)16(18,19)20/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,15,6,3,19,12,18,14,5,4,10,7,20,13,21,22,23,11,9,8/E:(18,19,20)/rA:23nCCCCCCCONCNCClCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s9;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClF3N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.237
Area:482.61
Solvation:-2.82826
Coulombic:-42.0635
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.711
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.8
LogP (Chemaxon):4.05

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