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Chemical ID: 4561023
Chemical ID:
4561023
Name [?]:
None
SMILES [?]:
CC1=CCCC2(C1=CC3C(C2)OC(=O)C3CNCc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C23H29NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h5-9,11,18-19,21,24H,4,10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,26,4,3,20,24,21,23,5,8,11,18,16,2,19,22,9,15,7,10,13,6,17,14,25,12/E:(6,7)(8,9)/rA:27cCCCCCCCCCCCOCOCCNCCCCCCCOCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;s9;s6s10;s10;s12;d13;s9s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.63474 |
Area: | 564.618 |
Solvation: | -4.48072 |
Coulombic: | -35.7802 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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