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Chemical ID: 4317673
Chemical ID:
4317673
Name [?]:
None
SMILES [?]:
CC1(C2C1CC3(C(C2)C(C(P3(=O)Cc4ccccc4)c5ccccc5)(C)O)C)C
InChi [?]:
InChI=1/C26H33O2P/c1-24(2)20-15-22-25(3,16-21(20)24)29(28,17-18-11-7-5-8-12-18)23(26(22,4)27)19-13-9-6-10-14-19/h5-14,20-23,27H,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,26,17,23,16,18,22,24,15,19,21,25,8,5,13,14,20,3,4,7,10,2,6,9,27,12,11/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCCCCCPOCCCCCCCCCCCCCCOCC/rB:s1;s2;s2s3;s4;s5;s6;s3s7;s7;s9;s6s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s10;s20;d21;s22;d23;d20s24;s9;s9;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H33O2P |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 10.3913 |
Area: | 567.497 |
Solvation: | -3.79609 |
Coulombic: | -27.3833 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 408.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.12 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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