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Chemical ID: 4916833
Chemical ID:
4916833
Name [?]:
None
SMILES [?]:
CC1=C2CCC2(C34C(C1=O)CC(C3O)(CO4)C)C
InChi [?]:
InChI=1/C15H20O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h10,12,17H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,5,11,15,2,3,8,9,13,12,6,7,10,14,16/rA:18cCCCCCCCCCOCCCOCOCC/rB:s1;d2;s3;s4;s3s5;s6;s7;s2s8;d9;s8;s11;s7s12;s13;s12;s7s15;s12;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 6.18843 |
Area: | 385.858 |
Solvation: | -3.45803 |
Coulombic: | -33.7473 |
Bond Count [?]
All: | 21 |
Single: | 19 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 248.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.06 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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