Chemical ID: 7165580

Cc1c(sc2c1c3nc(nn3cn2)COc4ccccc4Cl)C
Chemical ID:
7165580
Name [?]:
None
SMILES [?]:
Cc1c(sc2c1c3nc(nn3cn2)COc4ccccc4Cl)C
InChi [?]:
InChI=1/C16H13ClN4OS/c1-9-10(2)23-16-14(9)15-19-13(20-21(15)8-18-16)7-22-12-6-4-3-5-11(12)17/h3-6,8H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,19,18,20,17,14,12,2,3,21,16,9,6,7,5,22,13,8,10,11,15,4/rA:23nCCCSCCCNCNNCNCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s11;s5d12;s9;s14;s15;s16;d17;s18;d19;d16s20;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN4OS
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2942
Area:532.607
Solvation:-3.02094
Coulombic:-26.5492
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.819
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.88
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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