Chemical ID: 6685055

COC(=O)c1cc2c3ccccc3[nH]c2cn1
Chemical ID:
6685055
Name [?]:
None
SMILES [?]:
COC(=O)c1cc2c3ccccc3[nH]c2cn1
InChi [?]:
InChI=1/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,6,16,8,7,13,5,15,3,17,14,4,2/rA:17nCOCOCCCCCCCCCNCCN/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;d5s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.68227
Area:399.397
Solvation:-2.30266
Coulombic:-37.459
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.231
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.3
LogP (Chemaxon):2.48

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Experimental Annotations

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Descriptor Annotations

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