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Chemical ID: 4864998
Chemical ID:
4864998
Name [?]:
None
SMILES [?]:
CCN1CCC2(CC1)N3C(CC(=N3)c4ccc(cc4OC)OC)c5ccccc5O2
InChi [?]:
InChI=1/C24H29N3O3/c1-4-26-13-11-24(12-14-26)27-21(19-7-5-6-8-22(19)30-24)16-20(25-27)18-10-9-17(28-2)15-23(18)29-3/h5-10,15,21H,4,11-14,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,26,27,25,28,16,15,5,7,4,8,18,11,17,14,24,12,10,29,19,6,13,3,9,22,20,30/E:(11,12)(13,14)/rA:30cCCNCCCCCNCCCNCCCCCCOCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s10;s24;d25;s26;d27;d24s28;s6s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.81783 |
Area: | 609.306 |
Solvation: | -6.41484 |
Coulombic: | -31.895 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.505 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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