Chemical ID: 5112051

c1ccc2c(c1)c3c([nH]2)CC4C(C3)c5ccccc5NC4=O
Chemical ID:
5112051
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CC4C(C3)c5ccccc5NC4=O
InChi [?]:
InChI=1/C19H16N2O/c22-19-15-10-18-14(12-6-2-3-7-16(12)20-18)9-13(15)11-5-1-4-8-17(11)21-19/h1-8,13,15,20H,9-10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:16,1,2,17,15,6,3,18,13,10,14,5,12,7,11,4,19,8,21,9,20,22/rA:22cCCCCCCCCNCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.7679
Area:450.659
Solvation:-2.49857
Coulombic:-31.877
Bond Count [?]
All:26
Single:18
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:288.343
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):3.66

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Descriptor Annotations

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