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Chemical ID: 4796219
Chemical ID:
4796219
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCO
InChi [?]:
InChI=1/C22H18N2O5/c1-2-23-15-9-5-4-8-14(15)22(21(23)28)17-18(26)13-7-3-6-10-16(13)29-19(17)20(27)24(22)11-12-25/h3-10,25H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,7,6,19,17,8,5,20,27,28,16,9,4,21,13,14,23,24,11,10,3,26,29,15,25,12,22/rA:29cCCNCCCCCCCCOCCOCCCCCCOCCONCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.77077 |
Area: | 537.306 |
Solvation: | -4.66189 |
Coulombic: | -67.7972 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 390.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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