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Chemical ID: 6919590
Chemical ID:
6919590
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2=Nc3cc(ccc3Cc4c2cccc4)F
InChi [?]:
InChI=1/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,19,14,13,3,7,4,6,16,11,17,15,12,18,10,8,23,9,2,5/E:(8,9)(10,11)/rA:23nCNCCNCCCNCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15278 |
Area: | 475.949 |
Solvation: | -2.74594 |
Coulombic: | -22.142 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 309.381 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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