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Chemical ID: 7075548
Chemical ID:
7075548
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
InChi [?]:
InChI=1/C30H30N2O5/c1-31(2)16-9-17-32-27(26-28(33)22-12-7-8-13-23(22)37-29(26)30(32)34)21-14-15-24(25(18-21)35-3)36-19-20-10-5-4-6-11-20/h4-8,10-15,18,27H,9,16-17,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,35,34,36,14,15,5,33,37,13,16,23,24,4,6,27,31,32,22,12,17,25,26,9,8,10,19,20,2,7,11,21,28,30,18/E:(1,2)(5,6)(10,11)/rA:37cCNCCCCNCCCOCCCCCCOCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30N2O5 |
All Atoms: | 67 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6885 |
Area: | 761.541 |
Solvation: | -7.35005 |
Coulombic: | -55.6018 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 498.57 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.96 |
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
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