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Chemical ID: 5239618
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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