Chemical ID: 4492013

c1cc(c(cc1Cl)Cl)NC(=O)C2CC(=O)n3c(ncn3)N2
Chemical ID:
4492013
Name [?]:
N-(2,4-dichlorophenyl)-2-oxo-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-4-carboxamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)NC(=O)C2CC(=O)n3c(ncn3)N2
InChi [?]:
InChI=1/C12H9Cl2N5O2/c13-6-1-2-8(7(14)3-6)17-11(21)9-4-10(20)19-12(18-9)15-5-16-19/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,13,19,6,4,3,12,14,10,17,7,8,18,20,9,21,16,15,11/rA:21cCCCCCCClClNCOCCCONCNCNN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;s16d19;s12s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Cl2N5O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.59455
Area:496.708
Solvation:-3.82313
Coulombic:-52.0502
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.138
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.34
LogP (Chemaxon):1.78

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