Chemical ID: 4697705

c1ccc2c(c1)c3c([nH]2)CCC4(C3)OCCO4
Chemical ID:
4697705
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCC4(C3)OCCO4
InChi [?]:
InChI=1/C14H15NO2/c1-2-4-12-10(3-1)11-9-14(16-7-8-17-14)6-5-13(11)15-12/h1-4,15H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,15,16,13,5,7,4,8,12,9,14,17/E:(7,8)(16,17)/rA:17nCCCCCCCCNCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.65936
Area:386.362
Solvation:-2.9997
Coulombic:-28.1496
Bond Count [?]
All:20
Single:16
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:229.274
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.94
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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