Chemical ID: 5282101

c1ccc2c(c1)CCC3=C2NC(=O)NC3c4cccc(c4)F
Chemical ID:
5282101
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3=C2NC(=O)NC3c4cccc(c4)F
InChi [?]:
InChI=1/C18H15FN2O/c19-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)21-18(22)20-16/h1-7,10,16H,8-9H2,(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,3,7,8,21,5,16,20,4,9,15,10,12,22,14,11,13/rA:22cCCCCCCCCCCNCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.62723
Area:457.076
Solvation:-2.79966
Coulombic:-40.3247
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:294.323
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):2.5

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