Chemical ID: 6736492

Cc1c2c(cc(c(=Nc3ccccc3)o2)C(=O)N)c(cn1)CO
Chemical ID:
6736492
Name [?]:
7-(hydroxymethyl)-10-methyl-3-phenylimino-2-oxa-9-azabicyclo[4.4.0]deca-4,7,9,11-tetraene-4-carboxamide
SMILES [?]:
Cc1c2c(cc(c(=Nc3ccccc3)o2)C(=O)N)c(cn1)CO
InChi [?]:
InChI=1/C17H15N3O3/c1-10-15-13(11(9-21)8-19-10)7-14(16(18)22)17(23-15)20-12-5-3-2-4-6-12/h2-8,21H,9H2,1H3,(H2,18,22)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,5,20,22,2,19,9,4,6,3,16,7,18,21,8,23,17,15/E:(3,4)(5,6)/rA:23nCCCCCCCNCCCCCCOCONCCNCO/rB:s1;s2;d3;s4;d5;s6;w7;s8;s9;d10;s11;d12;d9s13;s3s7;s6;d16;s16;s4;d19;d2s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.59241
Area:484.543
Solvation:-3.52117
Coulombic:-62.3146
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:309.319
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.49
LogP (Chemaxon):1.61

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Descriptor Annotations

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