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Chemical ID: 4565745
Chemical ID:
4565745
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c-2c3c(cccc3n(c1=O)C)C(=O)c4c2cccc4
InChi [?]:
InChI=1/C20H15NO4/c1-3-25-20(24)17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,23,24,11,22,25,10,12,21,20,9,13,8,7,6,18,15,4,14,19,16,5,3/rA:25nCCOCOCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;d15;s14;s9;d18;s18;s7s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25053 |
Area: | 491.576 |
Solvation: | -3.03888 |
Coulombic: | -45.4636 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 333.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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