Chemical ID: 5306809

c1ccc2c(c1)nc3n2c(=O)c(=Cc4ccc(o4)c5cc(ccc5Cl)Cl)s3
Chemical ID:
5306809
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2c(=O)c(=Cc4ccc(o4)c5cc(ccc5Cl)Cl)s3
InChi [?]:
InChI=1/C20H10Cl2N2O2S/c21-11-5-7-14(22)13(9-11)17-8-6-12(26-17)10-18-19(25)24-16-4-2-1-3-15(16)23-20(24)27-18/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,15,23,16,20,13,21,14,19,24,5,4,17,12,10,8,26,25,7,9,11,18,27/rA:27nCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s21;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H10Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9167
Area:563.925
Solvation:-3.18144
Coulombic:-30.6926
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:413.277
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.68
LogP (Chemaxon):5.49

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