Chemical ID: 6428051

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(c(c4)F)Cl)F
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

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Descriptor Annotations

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