Chemical ID: 5229655

c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
Chemical ID:
5229655
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
InChi [?]:
InChI=1/C15H9NOS2/c17-14-13(10-6-2-1-3-7-10)19-15-16(14)11-8-4-5-9-12(11)18-15/h1-9H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,4,10,15,7,8,17,9,19,16,18/E:(2,3)(6,7)/CRV:16+1,17-1/rA:19nCCCCCCCCN+CCCCCCSCSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d9s16;s7s17;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10NOS2+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-14.4178
Area:440.778
Solvation:-25.4372
Coulombic:-3.85499
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.378
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.01
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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