Chemical ID: 4760206

CCOC(=O)c1cc2c3ccccc3[nH]c2cn1
Chemical ID:
4760206
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c3ccccc3[nH]c2cn1
InChi [?]:
InChI=1/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,7,17,9,8,14,6,16,4,18,15,5,3/rA:18nCCOCOCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;d6s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.49054
Area:428.722
Solvation:-2.2275
Coulombic:-37.7741
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.257
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):2.82

Name Annotations

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Descriptor Annotations

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