Chemical ID: 6497982

CN1c2ccccc2SC13COc4ccccc4O3
Chemical ID:
6497982
Name [?]:
None
SMILES [?]:
CN1c2ccccc2SC13COc4ccccc4O3
InChi [?]:
InChI=1/C15H13NO2S/c1-16-11-6-2-5-9-14(11)19-15(16)10-17-12-7-3-4-8-13(12)18-15/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,15,16,6,4,14,17,7,11,3,13,18,8,10,2,12,19,9/rA:19cCNCCCCCCSCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.82315
Area:409.576
Solvation:-2.41624
Coulombic:-28.2695
Bond Count [?]
All:22
Single:16
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:271.335
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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