Chemical ID: 6705948

c1ccc-2c(c1)C[NH2+]C(c3n2ccc3)c4ccc(cc4)F
Chemical ID:
6705948
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)C[NH2+]C(c3n2ccc3)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H15FN2/c19-15-9-7-13(8-10-15)18-17-6-3-11-21(17)16-5-2-1-4-14(16)12-20-18/h1-11,18,20H,12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,13,6,3,14,16,20,17,19,12,7,15,5,18,4,10,9,21,8,11/E:(7,8)(9,10)/rA:21cCCCCCCCN+CCNCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s4s10;s11;d12;d10s13;s9;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FN2+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-24.0512
Area:441.362
Solvation:-35.0853
Coulombic:25.5742
Bond Count [?]
All:24
Single:16
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:279.332
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.63
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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