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Chemical ID: 5633480
Chemical ID:
5633480
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cccc(c5)OC
InChi [?]:
InChI=1/C30H26N2O4/c1-20-8-3-12-23(18-20)31(28(33)22-11-4-13-24(19-22)36-2)16-7-17-32-29(34)25-14-5-9-21-10-6-15-26(27(21)25)30(32)35/h3-6,8-15,18-19H,7,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,4,31,17,23,10,3,18,24,30,5,32,16,22,9,11,7,34,2,19,29,6,33,15,21,20,27,13,25,8,12,28,14,26,35/E:(5,6)(9,10)(14,15)(25,26)(29,30)(34,35)/rA:36nCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s12s21;d25;s8;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6412 |
Area: | 684.849 |
Solvation: | -4.48 |
Coulombic: | -53.9854 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 478.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.03 |
LogP (Chemaxon): | 4.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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