Chemical ID: 7444294

CCN1c2ccccc2NC3C1OC(=C3C(=O)OCC)C
Chemical ID:
7444294
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2NC3C1OC(=C3C(=O)OCC)C
InChi [?]:
InChI=1/C16H20N2O3/c1-4-18-12-9-7-6-8-11(12)17-14-13(16(19)20-5-2)10(3)21-15(14)18/h6-9,14-15,17H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,19,7,6,8,5,14,9,4,15,11,12,16,10,3,17,18,13/rA:21cCCNCCCCCCNCCOCCCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s3s11;s12;s13;s11d14;s15;d16;s16;s18;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:41
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:9.16781
Area:467.691
Solvation:-2.52446
Coulombic:-47.3508
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):1.82

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Descriptor Annotations

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