Chemical ID: 7397351

CSc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCO
Chemical ID:
7397351
Name [?]:
None
SMILES [?]:
CSc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCO
InChi [?]:
InChI=1/C21H19NO4S/c1-27-14-9-7-13(8-10-14)18-17-19(24)15-5-2-3-6-16(15)26-20(17)21(25)22(18)11-4-12-23/h2-3,5-10,18,23H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,25,14,17,5,7,4,8,24,26,6,3,13,18,10,9,11,20,21,23,27,12,22,19,2/E:(7,8)(9,10)/rA:27cCSCCCCCCCCCOCCCCCCOCCONCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4S
All Atoms:46
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1936
Area:588.39
Solvation:-4.51618
Coulombic:-52.9363
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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