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Chemical ID: 4774664
Chemical ID:
4774664
Name [?]:
5-(4-chlorobenzoyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H10ClNO3/c16-11-7-5-10(6-8-11)15(19)17-12-3-1-2-4-13(12)20-9-14(17)18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,16,18,10,14,17,5,4,8,12,20,7,9,13,11/E:(5,6)(7,8)/rA:20nCCCCCCNCOCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14841 |
Area: | 431.633 |
Solvation: | -3.64242 |
Coulombic: | -35.4078 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 287.698 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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