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Chemical ID: 4802768
Chemical ID:
4802768
Name [?]:
None
SMILES [?]:
C=CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccco6
InChi [?]:
InChI=1/C26H18N2O5/c1-2-13-27-19-11-5-4-10-18(19)26(25(27)31)21-22(29)17-9-3-6-12-20(17)33-23(21)24(30)28(26)15-16-8-7-14-32-16/h2-12,14H,1,13,15H2
InChi Info:
AuxInfo=1/0/N:1,2,19,8,7,20,31,30,18,9,6,21,3,32,28,29,17,10,5,22,14,15,24,25,12,11,4,27,16,26,13,33,23/rA:33cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63194 |
Area: | 599.811 |
Solvation: | -5.36335 |
Coulombic: | -59.5961 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 438.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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