Chemical ID: 4942376

CCC1c2cc-3n(c(=O)c2COC1=O)Cc4c3cccc4
Chemical ID:
4942376
Name [?]:
None
SMILES [?]:
CCC1c2cc-3n(c(=O)c2COC1=O)Cc4c3cccc4
InChi [?]:
InChI=1/C17H15NO3/c1-2-11-13-7-15-12-6-4-3-5-10(12)8-18(15)16(19)14(13)9-21-17(11)20/h3-7,11H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,18,5,15,11,16,3,17,4,10,6,8,13,7,9,14,12/rA:21cCCCCCCNCOCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.0265
Area:446.173
Solvation:-3.12782
Coulombic:-35.3243
Bond Count [?]
All:24
Single:17
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.306
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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