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Chemical ID: 4240916
Chemical ID:
4240916
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)CN1c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C17H18N2O2/c1-3-18(4-2)15(20)11-19-14-10-6-8-12-7-5-9-13(16(12)14)17(19)21/h5-10H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,12,19,13,17,11,8,14,16,10,6,15,20,3,9,7,21/E:(1,2)(3,4)/rA:21nCCNCCCOCNCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s9s16;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70191 |
Area: | 470.099 |
Solvation: | -3.05055 |
Coulombic: | -33.986 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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