Chemical ID: 6833521

CCn1cc(c(=O)c2c1c3ccccc3cc2)C(=O)OCC
Chemical ID:
6833521
Name [?]:
None
SMILES [?]:
CCn1cc(c(=O)c2c1c3ccccc3cc2)C(=O)OCC
InChi [?]:
InChI=1/C18H17NO3/c1-3-19-11-15(18(21)22-4-2)17(20)14-10-9-12-7-5-6-8-13(12)16(14)19/h5-11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,13,12,14,11,16,17,4,15,10,8,5,9,6,18,3,7,19,20/rA:22nCCNCCCOCCCCCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;s5;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.26209
Area:482.8
Solvation:-2.80792
Coulombic:-35.2801
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.06
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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