Chemical ID: 7438008

c1ccc(cc1)c2c3c(nc4ccccc4n3c(=N)s2)O
Chemical ID:
7438008
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c3c(nc4ccccc4n3c(=N)s2)O
InChi [?]:
InChI=1/C16H11N3OS/c17-16-19-12-9-5-4-8-11(12)18-15(20)13(19)14(21-16)10-6-2-1-3-7-10/h1-9,17H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,4,11,16,8,7,9,18,19,10,17,21,20/E:(2,3)(6,7)/rA:21nCCCCCCCCCNCCCCCCNCNSO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;s11;d12;s13;d14;d11s15;s8s16;s17;w18;s7s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3OS
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.16158
Area:449.022
Solvation:-2.06397
Coulombic:-44.3704
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:293.344
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.91
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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