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Chemical ID: 7080467
Chemical ID:
7080467
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OCC=C
InChi [?]:
InChI=1/C24H23NO5/c1-3-14-29-17-11-9-16(10-12-17)21-20-22(26)18-7-4-5-8-19(18)30-23(20)24(27)25(21)13-6-15-28-2/h3-5,7-12,21H,1,6,13-15H2,2H3
InChi Info:
AuxInfo=1/0/N:30,1,29,13,14,4,12,15,22,26,23,25,5,28,3,21,24,11,16,8,7,9,18,19,6,10,20,2,27,17/E:(9,10)(11,12)/rA:30cCOCCCNCCCOCCCCCCOCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s6s18;d19;s7;s21;d22;s23;d24;d21s25;s24;s27;s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO5 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1933 |
Area: | 644.254 |
Solvation: | -5.91299 |
Coulombic: | -52.0418 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.12 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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