Chemical ID: 5178995

COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
Chemical ID:
5178995
Name [?]:
methyl acenaphthlen-1-ylsulfonylaminoformate
SMILES [?]:
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
InChi [?]:
InChI=1/C14H11NO4S/c1-19-14(16)15-20(17,18)12-8-10-6-2-4-9-5-3-7-11(12)13(9)10/h2-8H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,19,14,20,12,18,10,15,11,17,9,16,3,5,4,7,8,2,6/E:(17,18)/CRV:20.6/rA:20nCOCONSOOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;d6;s6;d9;s10;s11;d12;s13;d14;d11s15;s9s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.40611
Area:441.343
Solvation:-2.62746
Coulombic:-34.7342
Bond Count [?]
All:22
Single:13
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.307
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.3
LogP (Chemaxon):1.73

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Descriptor Annotations

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