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Chemical ID: 4810153
Chemical ID:
4810153
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CCCO
InChi [?]:
InChI=1/C22H18N2O5/c1-23-15-9-4-3-8-14(15)22(21(23)28)17-18(26)13-7-2-5-10-16(13)29-19(17)20(27)24(22)11-6-12-25/h2-5,7-10,25H,6,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,6,5,18,27,16,7,4,19,26,28,15,8,3,20,12,13,22,23,10,9,2,25,29,14,24,11,21/rA:29cCNCCCCCCCCOCCOCCCCCCOCCONCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.10241 |
Area: | 567.72 |
Solvation: | -5.09059 |
Coulombic: | -68.0294 |
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: | 1.18 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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