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Chemical ID: 5126281
Chemical ID:
5126281
Name [?]:
None
SMILES [?]:
CN1CCC23c4c5ccc(c4OC2C(CCC3C1C5)O)O
InChi [?]:
InChI=1/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,16,9,15,4,3,19,7,17,18,10,14,6,11,13,5,2,21,20,12/rA:21cCNCCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s14;s15;s5s16;s2s17;s7s18;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 21.7121 |
Area: | 0.0 |
Solvation: | 21.7121 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 287.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.01 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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