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Chemical ID: 4185083
Chemical ID:
4185083
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4cc(ccc4F)F
InChi [?]:
InChI=1/C18H18F2N2O/c19-15-4-5-16(20)13(7-15)10-21-8-12-6-14(11-21)17-2-1-3-18(23)22(17)9-12/h1-5,7,12,14H,6,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,7,19,20,10,17,14,8,15,12,9,16,11,18,21,3,5,23,22,13,4,6/rA:23cCCCNCOCCCCCCNCCCCCCCCFF/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18F2N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.45821 |
Area: | 447.337 |
Solvation: | -4.72521 |
Coulombic: | -27.0547 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 316.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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