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Chemical ID: 5015917
Chemical ID:
5015917
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(NCC3)c4cc(ccc4F)F
InChi [?]:
InChI=1/C17H14F2N2/c18-10-5-6-14(19)13(9-10)16-17-12(7-8-20-16)11-3-1-2-4-15(11)21-17/h1-6,9,16,20-21H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,18,13,12,15,16,5,7,14,19,4,10,8,21,20,11,9/rA:21cCCCCCCCCNCNCCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F2N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.85124 |
Area: | 435.101 |
Solvation: | -3.02628 |
Coulombic: | -28.4367 |
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: | 3.36 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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