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Chemical ID: 4810112
Chemical ID:
4810112
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCCO)F
InChi [?]:
InChI=1/C22H17FN2O5/c1-24-15-6-3-2-5-14(15)22(21(24)29)17-18(27)13-11-12(23)7-8-16(13)30-19(17)20(28)25(22)9-4-10-26/h2-3,5-8,11,26H,4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,27,7,4,18,19,26,28,16,17,15,8,3,20,12,13,22,23,10,9,30,2,25,29,14,24,11,21/rA:30cCNCCCCCCCCOCCOCCCCCCOCCONCCCOF/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;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17FN2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30497 |
Area: | 575.407 |
Solvation: | -6.08022 |
Coulombic: | -69.9786 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 408.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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