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Chemical ID: 7712745
Chemical ID:
7712745
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)NC(=O)N2CCN(CC2)c3cccc(c3Cl)Cl)F
InChi [?]:
InChI=1/C17H16Cl2FN3O/c18-12-4-3-7-15(16(12)19)22-8-10-23(11-9-22)17(24)21-14-6-2-1-5-13(14)20/h1-7H,8-11H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:2,1,18,19,3,6,17,12,14,11,15,20,4,5,16,21,8,23,22,24,7,13,10,9/E:(8,9)(10,11)/rA:24nCCCCCCNCONCCNCCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2FN3O |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5036 |
Area: | 541.815 |
Solvation: | -3.04176 |
Coulombic: | -42.9141 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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