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Chemical ID: 4375139
Chemical ID:
4375139
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C(=O)c4ccccc4N3C2=O)Cc5ccco5
InChi [?]:
InChI=1/C20H14N2O3/c23-19-16-9-3-4-10-17(16)22-18(21(19)12-13-6-5-11-25-13)14-7-1-2-8-15(14)20(22)24/h1-11,18H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,23,22,6,3,12,15,24,20,21,5,4,11,16,7,9,18,8,17,10,19,25/rA:25cCCCCCCCNCOCCCCCCNCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s4s17;d18;s8;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.29935 |
Area: | 488.39 |
Solvation: | -2.91041 |
Coulombic: | -43.4947 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 330.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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