Chemical ID: 6849375

c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
Chemical ID:
6849375
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
InChi [?]:
InChI=1/C16H12N2O/c19-16-13-7-3-4-8-14(13)18-10-12-6-2-1-5-11(12)9-15(18)17-16/h1-8H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,14,15,6,3,13,16,7,19,5,4,12,17,8,10,9,18,11/rA:19nCCCCCCCCNCOCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s4s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.27145
Area:406.953
Solvation:-1.90237
Coulombic:-24.2062
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:248.279
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.1
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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