Chemical ID: 4944220

c1ccc2c(c1)c3ccnc4c3n2CCCC4=O
Chemical ID:
4944220
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccnc4c3n2CCCC4=O
InChi [?]:
InChI=1/C15H12N2O/c18-13-6-3-9-17-12-5-2-1-4-10(12)11-7-8-16-14(13)15(11)17/h1-2,4-5,7-8H,3,6,9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,6,3,16,8,9,14,5,7,4,17,11,12,10,13,18/rA:18nCCCCCCCCCNCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;s11s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.10582
Area:388.725
Solvation:-2.6123
Coulombic:-20.0758
Bond Count [?]
All:21
Single:14
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:236.269
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):2.63

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Descriptor Annotations

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