Chemical ID: 7181669

c1ccc2c(c1)[nH+]c3n2c(=O)c(=Cc4ccc(o4)c5cccc(c5Cl)Cl)s3
Chemical ID:
7181669
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)[nH+]c3n2c(=O)c(=Cc4ccc(o4)c5cccc(c5Cl)Cl)s3
InChi [?]:
InChI=1/C20H10Cl2N2O2S/c21-13-5-3-4-12(18(13)22)16-9-8-11(26-16)10-17-19(25)24-15-7-2-1-6-14(15)23-20(24)27-17/h1-10H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,6,3,15,16,13,14,19,23,5,4,17,12,24,10,8,26,25,7,9,11,18,27/rA:27nCCCCCCN+CNCOCCCCCCOCCCCCCClClS/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;s23;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl2N2O2S+
All Atoms:38
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-17.9481
Area:577.867
Solvation:-32.3948
Coulombic:-20.6647
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:414.285
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.83
LogP (Chemaxon):5.49

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Descriptor Annotations

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