Chemical ID: 4123551

Cc1ccc2c(c1)C3C(CCO3)C(N2)c4ccncc4
Chemical ID:
4123551
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C3C(CCO3)C(N2)c4ccncc4
InChi [?]:
InChI=1/C17H18N2O/c1-11-2-3-15-14(10-11)17-13(6-9-20-17)16(19-15)12-4-7-18-8-5-12/h2-5,7-8,10,13,16-17,19H,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,20,10,17,19,11,7,2,15,9,6,5,13,8,18,14,12/E:(4,5)(7,8)/rA:20cCCCCCCCCCCCOCNCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s8s11;s9;s5s13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:7.8737
Area:441.088
Solvation:-3.1535
Coulombic:-25.3309
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:266.338
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):2.33

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Descriptor Annotations

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