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Chemical ID: 6428051
Chemical ID:
6428051
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(c(c4)F)Cl)F
InChi [?]:
InChI=1/C19H19ClF2N2S/c1-23-4-6-24(7-5-23)17-8-12-2-3-13(21)9-18(12)25-19-11-16(22)15(20)10-14(17)19/h2-3,9-11,17H,4-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,7,4,6,9,14,19,22,10,13,18,20,21,8,15,17,24,25,23,2,5,16/E:(4,5)(6,7)/rA:25cCNCCNCCCCCCCCCCSCCCCCCFClF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s21;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClF2N2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.98992 |
Area: | 528.264 |
Solvation: | -3.21668 |
Coulombic: | -19.2211 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 380.883 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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