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Chemical ID: 3951099
Chemical ID:
3951099
Name [?]:
N-(4-chlorophenyl)-2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2O3/c17-11-5-7-12(8-6-11)18-15(20)9-19-13-3-1-2-4-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,17,21,12,10,19,16,5,4,13,8,22,15,7,14,9,11/E:(5,6)(7,8)/rA:22nCCCCCCNCOCOCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06939 |
Area: | 497.781 |
Solvation: | -4.37514 |
Coulombic: | -45.5103 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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