Chemical ID: 5682909

c1ccc2c(c1)c3c([nH]2)C([NH2+]CC3)c4cccc(c4)F
Chemical ID:
5682909
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C([NH2+]CC3)c4cccc(c4)F
InChi [?]:
InChI=1/C17H15FN2/c18-12-5-3-4-11(10-12)16-17-14(8-9-19-16)13-6-1-2-7-15(13)20-17/h1-7,10,16,19-20H,8-9H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,6,3,13,12,19,14,18,5,7,4,10,8,20,11,9/rA:20cCCCCCCCCNCN+CCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:-25.2133
Area:433.266
Solvation:-36.045
Coulombic:21.641
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.321
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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