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Chemical ID: 7599021
Chemical ID:
7599021
Name [?]:
None
SMILES [?]:
CC1C2C(=O)c3ccc(cc3C1(CCN2CC4CC4)C)O
InChi [?]:
InChI=1/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,18,19,8,7,13,14,10,16,2,17,9,6,11,3,4,12,15,21,5/E:(3,4)/rA:21cCCCCOCCCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s12;s13;s3s14;s15;s16;s17;s17s18;s12;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.7824 |
Area: | 463.168 |
Solvation: | -2.7968 |
Coulombic: | -31.0537 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.75 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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