Chemical ID: 5239618

CCOC1(Cc2c1cc3ccccc3n2)OCC
Chemical ID:
5239618
Name [?]:
None
SMILES [?]:
CCOC1(Cc2c1cc3ccccc3n2)OCC
InChi [?]:
InChI=1/C15H17NO2/c1-3-17-15(18-4-2)10-14-12(15)9-11-7-5-6-8-13(11)16-14/h5-9H,3-4,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,11,12,10,13,8,5,9,7,14,6,4,15,3,16/E:(1,2)(3,4)(17,18)/rA:18nCCOCCCCCCCCCCCNOCC/rB:s1;s2;s3;s4;s5;s4s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s4;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.19814
Area:431.773
Solvation:-2.59618
Coulombic:-24.4085
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.35
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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