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Chemical ID: 7075460
Chemical ID:
7075460
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
InChi [?]:
InChI=1/C29H36N2O4/c1-4-7-10-20-34-22-16-14-21(15-17-22)26-25-27(32)23-12-8-9-13-24(23)35-28(25)29(33)31(26)19-11-18-30(5-2)6-3/h8-9,12-17,26H,4-7,10-11,18-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,35,2,32,34,3,19,20,4,29,18,21,9,11,8,12,30,28,5,10,7,17,22,14,13,15,24,25,31,27,16,26,6,23/E:(2,3)(5,6)(14,15)(16,17)/rA:35cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H36N2O4 |
All Atoms: | 71 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.7225 |
Area: | 773.867 |
Solvation: | -4.62418 |
Coulombic: | -49.2456 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 476.607 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.72 |
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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