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Chemical ID: 4918085
Chemical ID:
4918085
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=C3CCC4C3N(CCCC4)C(=O)O2
InChi [?]:
InChI=1/C17H19NO2/c19-17-18-11-5-4-6-12-9-10-14(15(12)18)16(20-17)13-7-2-1-3-8-13/h1-3,7-8,12,15H,4-6,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,17,3,5,10,9,14,11,4,8,12,7,18,13,19,20/E:(2,3)(7,8)/rA:20cCCCCCCCCCCCCNCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;s8s11;s12;s13;s14;s15;s11s16;s13;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.87785 |
Area: | 428.175 |
Solvation: | -1.82653 |
Coulombic: | -31.2297 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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