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Chemical ID: 5547188
Chemical ID:
5547188
Name [?]:
None
SMILES [?]:
c1cc(cnc1)C2C3CC=CC3c4cc(cc(c4N2)F)F
InChi [?]:
InChI=1/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2
InChi Info:
AuxInfo=1/0/N:10,1,2,11,9,6,14,16,4,3,15,12,8,13,17,7,18,21,20,5,19/rA:21cCCCCNCCCCCCCCCCCCCNFF/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s7s18;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F2N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.18733 |
Area: | 426.972 |
Solvation: | -3.48696 |
Coulombic: | -24.732 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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