Chemical ID: 4681610

c1ccc2c(c1)C3c4ccccc4C5C2C5C(=O)N3
Chemical ID:
4681610
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C5C2C5C(=O)N3
InChi [?]:
InChI=1/C17H13NO/c19-17-15-13-9-5-1-3-7-11(9)16(18-17)12-8-4-2-6-10(12)14(13)15/h1-8,13-16H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,11,1,10,3,12,6,9,4,13,5,8,15,14,16,7,17,19,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:19cCCCCCCCCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s4s14;s14s15;s16;d17;s7s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.76204
Area:398.97
Solvation:-2.21222
Coulombic:-22.8465
Bond Count [?]
All:23
Single:16
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:247.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.92
LogP (Chemaxon):2.53

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