Chemical ID: 5771142

CCC1=NCC(=O)Nc2c1cc(cc2)Cl
Chemical ID:
5771142
Name [?]:
9-chloro-6-ethyl-2,5-diazabicyclo[5.4.0]undeca-5,7,9,11-tetraen-3-one
SMILES [?]:
CCC1=NCC(=O)Nc2c1cc(cc2)Cl
InChi [?]:
InChI=1/C11H11ClN2O/c1-2-9-8-5-7(12)3-4-10(8)14-11(15)6-13-9/h3-5H,2,6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,11,5,12,10,3,9,6,15,4,8,7/rA:15nCCCNCCONCCCCCCCl/rB:s1;s2;d3;s4;s5;d6;s6;s8;s3s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11ClN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.52255
Area:384.631
Solvation:-2.09322
Coulombic:-26.6693
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.671
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):1.95

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