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Chemical ID: 5268118
Chemical ID:
5268118
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=CC2C3C(C(=O)N(C3=O)c4ccc(cc4)Cl)C5(O2)C(=O)c6ccccc6C5=O
InChi [?]:
InChI=1/C28H18ClNO5/c29-17-11-13-18(14-12-17)30-26(33)22-21(15-10-16-6-2-1-3-7-16)35-28(23(22)27(30)34)24(31)19-8-4-5-9-20(19)25(28)32/h1-15,21-23H
InChi Info:
AuxInfo=1/0/N:1,2,6,30,31,3,5,29,32,7,19,21,18,22,8,4,20,17,28,33,9,10,11,26,34,15,12,24,23,14,27,35,16,13,25/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)(19,20)(24,25)(31,32)/rA:35cCCCCCCCCCCCCONCOCCCCCCClCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s20;s11;s9s24;s24;d26;s26;s28;d29;s30;d31;d28s32;s24s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H18ClNO5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.0748 |
Area: | 683.31 |
Solvation: | -5.00796 |
Coulombic: | -51.3118 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 483.899 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.8 |
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.
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