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Chemical ID: 3963973
Chemical ID:
3963973
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl
InChi [?]:
InChI=1/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,21,22,3,7,4,6,9,19,10,20,18,8,15,17,23,2,5,16/E:(8,9)(10,11)/rA:23cCNCCNCCCCCCCCCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3747 |
Area: | 516.086 |
Solvation: | -1.52747 |
Coulombic: | -13.5804 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 344.902 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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