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Chemical ID: 7705032
Chemical ID:
7705032
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c4ccccc4C
InChi [?]:
InChI=1/C27H22N2O3/c1-18-8-7-11-21(16-18)27(31)32-25-15-14-20-10-4-6-13-23(20)24(25)17-28-29-26(30)22-12-5-3-9-19(22)2/h3-17H,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,32,29,16,28,17,4,3,30,15,5,27,18,13,12,7,21,2,31,14,6,26,19,20,11,24,8,22,23,25,9,10/rA:32nCCCCCCCCOOCCCCCCCCCCCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O3 |
All Atoms: | 54 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4306 |
Area: | 616.606 |
Solvation: | -3.98451 |
Coulombic: | -42.1806 |
Bond Count [?]
All: | 35 |
Single: | 21 |
Double: | 14 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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