Chemical ID: 4899024

c1ccc(cc1)c2c3c(=O)[nH]c4ccccc4n3c(=N)s2
Chemical ID:
4899024
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c3c(=O)[nH]c4ccccc4n3c(=N)s2
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:1,2,6,14,15,3,5,13,16,4,12,17,8,7,9,19,20,11,18,10,21/E:(2,3)(6,7)/rA:21nCCCCCCCCCONCCCCCCNCNS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s8s17;s18;w19;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.30824
Area:448.287
Solvation:-1.89894
Coulombic:-43.1578
Bond Count [?]
All:24
Single:15
Double:9
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:293.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):3.96

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Descriptor Annotations

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