Chemical ID: 4778257

CC1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
Chemical ID:
4778257
Name [?]:
None
SMILES [?]:
CC1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
InChi [?]:
InChI=1/C17H16FN3O/c1-12-17-19-15-4-2-3-5-16(15)21(17)10-20(11-22-12)14-8-6-13(18)7-9-14/h2-9,12H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,18,20,17,21,12,14,2,19,16,5,10,3,22,4,13,11,15/E:(6,7)(8,9)/rA:22cCCCNCCCCCCNCNCOCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s11;s12;s13;s2s14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:6.89191
Area:465.768
Solvation:-4.75231
Coulombic:-30.86
Bond Count [?]
All:25
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:297.327
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.11
LogP (Chemaxon):5.17

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