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Chemical ID: 3963975
Chemical ID:
3963975
Name [?]:
6-(phenethyl-propyl-amino)tetralin-1-ol
SMILES [?]:
CCCN(CCc1ccccc1)C2CCc3c(cccc3O)C2
InChi [?]:
InChI=1/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,19,8,12,18,20,14,15,6,3,5,23,7,17,13,16,21,4,22/E:(4,5)(7,8)/rA:23cCCCNCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4139 |
Area: | 543.33 |
Solvation: | -2.16939 |
Coulombic: | -24.5946 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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