Chemical ID: 4937472

COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
Chemical ID:
4937472
Name [?]:
None
SMILES [?]:
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
InChi [?]:
InChI=1/C13H9NO4S/c1-17-12(16)9-6-7-11(15)14-8-4-2-3-5-10(8)19-13(7)18-9/h2-6H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,6,7,16,5,11,18,3,8,17,19,4,2,9,10/rA:19nCOCOCCCCOSCCCCCCNCO/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s16;s7s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.9339
Area:435.111
Solvation:-2.94387
Coulombic:-50.2069
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.281
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.73
LogP (Chemaxon):2.0

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Descriptor Annotations

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