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Chemical ID: 4907608
Chemical ID:
4907608
Name [?]:
None
SMILES [?]:
CC1C2Cc3ccc(cc3C1(CCN2CC4CC4)C)O
InChi [?]:
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,17,18,6,7,12,13,4,9,15,2,16,5,8,10,3,11,14,20/E:(3,4)/rA:20cCCCCCCCCCCCCCNCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s3s13;s14;s15;s16;s16s17;s11;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.37206 |
Area: | 453.307 |
Solvation: | -1.96061 |
Coulombic: | -22.5766 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 271.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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