Chemical ID: 5567442

c1ccc(cc1)C(=O)N=c2n3c(ns2)-c4ccccc4C3
Chemical ID:
5567442
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(=O)N=c2n3c(ns2)-c4ccccc4C3
InChi [?]:
InChI=1/C16H11N3OS/c20-15(11-6-2-1-3-7-11)17-16-19-10-12-8-4-5-9-13(12)14(19)18-21-16/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,17,3,5,19,16,21,4,20,15,12,7,10,9,13,11,8,14/E:(2,3)(6,7)/rA:21nCCCCCCCONCNCNSCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1451
Area:469.636
Solvation:-1.59579
Coulombic:-30.9493
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:293.344
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):3.85

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