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Chemical ID: 4807819
Chemical ID:
4807819
Name [?]:
None
SMILES [?]:
C=CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
InChi [?]:
InChI=1/C25H19NO5/c1-2-12-29-17-8-5-7-16(14-17)22-21-23(27)19-10-3-4-11-20(19)31-24(21)25(28)26(22)15-18-9-6-13-30-18/h2-11,13-14,22H,1,12,15H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,7,29,8,6,28,16,19,3,30,10,26,9,5,27,15,20,12,11,13,22,23,25,14,24,4,31,21/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.77178 |
Area: | 631.826 |
Solvation: | -6.02387 |
Coulombic: | -50.546 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 413.422 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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