Chemical ID: 5476403

CCN1Cc2nc3ccccc3c(=O)n2C=C1C
Chemical ID:
5476403
Name [?]:
None
SMILES [?]:
CCN1Cc2nc3ccccc3c(=O)n2C=C1C
InChi [?]:
InChI=1/C14H15N3O/c1-3-16-9-13-15-12-7-5-4-6-11(12)14(18)17(13)8-10(16)2/h4-8H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,10,9,11,8,16,4,17,12,7,5,13,6,3,15,14/rA:18cCCNCCNCCCCCCCONCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s13;s15;s3d16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.5022
Area:409.85
Solvation:-1.74405
Coulombic:-28.6429
Bond Count [?]
All:20
Single:14
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:241.289
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):1.0

Name Annotations

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Descriptor Annotations

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