Chemical ID: 3966080

c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)O
Chemical ID:
3966080
Name [?]:
9-chloro-3-oxo-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,7,9,11-tetraene-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,15,4,16,14,13,7,9,10,20,19,12,8,11,21,22/E:(2,3)(4,5)(21,22)/rA:22cCCCCCCCNCCONCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s10;s12;s7s13;d14;s15;d16;d13s17;s16;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.60582
Area:482.681
Solvation:-3.46121
Coulombic:-55.6941
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.723
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.54
LogP (Chemaxon):3.22

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