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Chemical ID: 4799121
Chemical ID:
4799121
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)CC=C)Cc6ccc7c(c6)OCO7
InChi [?]:
InChI=1/C30H22N2O6/c1-3-12-31-21-7-5-4-6-20(21)30(29(31)35)25-26(33)19-13-17(2)8-10-22(19)38-27(25)28(34)32(30)15-18-9-11-23-24(14-18)37-16-36-23/h3-11,13-14H,1,12,15-16H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,19,20,18,21,3,31,4,32,26,7,35,29,37,2,30,6,17,22,5,33,34,10,8,11,13,24,16,23,15,9,14,25,38,36,12/rA:38cCCCCCCCCOCCOCONCCCCCCCNCOCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s26;d27;s15;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H22N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8667 |
Area: | 648.962 |
Solvation: | -5.35734 |
Coulombic: | -69.9915 |
Bond Count [?]
All: | 44 |
Single: | 30 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 506.506 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.13 |
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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