Chemical ID: 5806260

Cc1nc2ccccc2c(=O)n1c3cc(ccc3Cl)C(F)(F)F
Chemical ID:
5806260
Name [?]:
3-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-quinazolin-4-one
SMILES [?]:
Cc1nc2ccccc2c(=O)n1c3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H10ClF3N2O/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-8-10(16(18,19)20)6-7-12(14)17/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,16,17,14,2,15,9,18,4,13,10,20,19,21,22,23,3,12,11/E:(18,19,20)/rA:23nCCNCCCCCCCONCCCCCCClCFFF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClF3N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.22423
Area:472.477
Solvation:-2.58769
Coulombic:-41.48
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.711
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.19
LogP (Chemaxon):3.98

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