Chemical ID: 4686402

c1ccc2c(c1)C3c4cccn4CCN3C2=O
Chemical ID:
4686402
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4cccn4CCN3C2=O
InChi [?]:
InChI=1/C14H12N2O/c17-14-11-5-2-1-4-10(11)13-12-6-3-7-15(12)8-9-16(13)14/h1-7,13H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,11,13,14,5,4,8,7,16,12,15,17/rA:17cCCCCCCCCCCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s12;s13;s7s14;s4s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.17133
Area:374.807
Solvation:-2.19886
Coulombic:-23.8025
Bond Count [?]
All:20
Single:14
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.258
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.73
LogP (Chemaxon):1.61

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Descriptor Annotations

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