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Chemical ID: 5810754
Chemical ID:
5810754
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CNC(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
InChi Info:
AuxInfo=1/0/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:21cCCCCCCCNCCNCCCCCCCCCF/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: | C18H15FN2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.72111 |
Area: | 441.16 |
Solvation: | -2.30788 |
Coulombic: | -20.6403 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 278.324 |
H-Bond Donors: | 1 |
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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