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Chemical ID: 4179151
Chemical ID:
4179151
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C2Nc3ccccc3N2CCC1=O
InChi [?]:
InChI=1/C14H14N2O3/c1-2-19-14(18)12-11(17)7-8-16-10-6-4-3-5-9(10)15-13(12)16/h3-6,15H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,17,16,9,14,18,6,7,4,8,15,19,5,3/rA:19nCCOCOCCNCCCCCCNCCCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s16;s6s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.46833 |
Area: | 427.918 |
Solvation: | -3.22961 |
Coulombic: | -43.4432 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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