Chemical ID: 3966308

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
Chemical ID:
3966308
Name [?]:
9-chloro-2-methyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
SMILES [?]:
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,5,4,7,11,14,6,8,3,12,9,20,10,2,13/E:(3,4)(5,6)/rA:20nCNCCCCCCCNCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s2s11;d12;s9;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.05996
Area:454.524
Solvation:-2.30313
Coulombic:-24.3612
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.74
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):3.01

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