Chemical ID: 6476080

c1cc(c(cc1C=Cc2nc3c(cc(cc3Cl)Cl)c(=O)o2)[N+](=O)[O-])Cl
Chemical ID:
6476080
Name [?]:
2,4-dichloro-9-[2-(4-chloro-3-nitro-phenyl)vinyl]-8-oxa-10-azabicyclo[4.4.0]deca-1,3,5,9-tetraen-7-one
SMILES [?]:
c1cc(c(cc1C=Cc2nc3c(cc(cc3Cl)Cl)c(=O)o2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H7Cl3N2O4/c17-9-6-10-15(12(19)7-9)20-14(25-16(10)22)4-2-8-1-3-11(18)13(5-8)21(23)24/h1-7H
InChi Info:
AuxInfo=1/0/N:1,7,2,8,5,13,15,6,14,12,3,16,4,9,11,19,18,25,17,10,22,20,23,24,21/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCNCCCCCCClClCOON+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s14;s12;d19;s9s19;s4;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H7Cl3N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.83086
Area:544.782
Solvation:-7.78868
Coulombic:-37.2696
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:397.596
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.09
LogP (Chemaxon):4.93

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Descriptor Annotations

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