Chemical ID: 5753132

c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)F
Chemical ID:
5753132
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H15FN2O/c19-13-7-5-12(6-8-13)18(22)21-10-9-15-14-3-1-2-4-16(14)20-17(15)11-21/h1-8,20H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,13,12,10,16,19,5,7,4,8,14,22,9,11,15/E:(5,6)(7,8)/rA:22nCCCCCCCCNCNCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.5401
Area:465.203
Solvation:-3.08998
Coulombic:-33.0151
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.37
LogP (Chemaxon):3.25

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Descriptor Annotations

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