Chemical ID: 4863955

c1ccc2c(c1)C3N(C2=O)c4ccccc4S3
Chemical ID:
4863955
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C2=O)c4ccccc4S3
InChi [?]:
InChI=1/C14H9NOS/c16-13-9-5-1-2-6-10(9)14-15(13)11-7-3-4-8-12(11)17-14/h1-8,14H
InChi Info:
AuxInfo=1/0/N:2,1,13,14,3,6,12,15,4,5,11,16,9,7,8,10,17/rA:17cCCCCCCCNCOCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;d12;s13;d14;d11s15;s7s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.06126
Area:389.664
Solvation:-1.68035
Coulombic:-19.9351
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:239.293
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.03
LogP (Chemaxon):3.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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