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Chemical ID: 6045497
Chemical ID:
6045497
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)N)N(C)C
InChi [?]:
InChI=1/C24H23N3O3/c1-26(2)15-6-9-19-21(12-15)29-22-13-16(27(3)4)7-10-20(22)24(19)18-8-5-14(25)11-17(18)23(28)30-24/h5-13H,25H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,30,20,5,14,19,6,15,22,9,12,21,4,13,23,18,7,16,8,11,24,17,27,2,28,25,10,26/E:(1,2,3,4)(6,7)(9,10)(12,13)(15,16)(19,20)(21,22)(26,27)/rA:30nCNCCCCCCCOCCCCCCCCCCCCCCOONNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s17s24;s21;s13;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9705 |
Area: | 601.164 |
Solvation: | -4.05862 |
Coulombic: | -57.0201 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 401.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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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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