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Chemical ID: 7387384
Chemical ID:
7387384
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2C3=C(c4ccccc4C3=O)Nc5ccccc5S2
InChi [?]:
InChI=1/C23H17NOS/c1-14-8-2-3-9-15(14)23-20-21(16-10-4-5-11-17(16)22(20)25)24-18-12-6-7-13-19(18)26-23/h2-13,23-24H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,13,14,22,23,3,6,12,15,21,24,2,7,11,16,20,25,9,10,17,8,19,18,26/rA:26cCCCCCCCCCCCCCCCCCONCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;d17;s10;s19;s20;d21;s22;d23;d20s24;s8s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17NOS |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7995 |
Area: | 514.85 |
Solvation: | -2.07172 |
Coulombic: | -24.2167 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 355.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.75 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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