Chemical ID: 4179151

CCOC(=O)C1=C2Nc3ccccc3N2CCC1=O
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

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Descriptor Annotations

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