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Chemical ID: 6919944
Chemical ID:
6919944
Name [?]:
None
SMILES [?]:
CCC12CCN(C(C1C)C(=O)c3c2cc(cc3)O)CC4CC4
InChi [?]:
InChI=1/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,21,22,16,17,4,5,14,19,8,20,15,12,13,7,10,3,6,18,11/E:(4,5)/rA:22cCCCCCNCCCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s7;d10;s10;s3s12;d13;s14;d15;d12s16;s15;s6;s19;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO2 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.4074 |
Area: | 475.053 |
Solvation: | -2.46894 |
Coulombic: | -31.6704 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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