Chemical ID: 7438465

CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
Chemical ID:
7438465
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
InChi [?]:
InChI=1/C19H17N3O2/c1-2-24-13-9-7-12(8-10-13)22-18-14-5-3-4-6-16(14)21-17(18)11-15(20)19(22)23/h3-11,21H,2,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,6,8,5,9,20,7,4,12,21,17,19,11,22,24,18,10,23,3/E:(7,8)(9,10)/rA:24nCCOCCCCCCNCCCCCCCNCCCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;d11s18;s19;d20;s10s21;d22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O2
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.30178
Area:502.207
Solvation:-3.25339
Coulombic:-53.2467
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.357
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):3.69

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Descriptor Annotations

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