Chemical ID: 4918085

c1ccc(cc1)C2=C3CCC4C3N(CCCC4)C(=O)O2
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

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Experimental Annotations

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Descriptor Annotations

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