Chemical ID: 4917203

CC1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3)Cl
Chemical ID:
4917203
Name [?]:
9-chloro-4-methyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
SMILES [?]:
CC1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3)Cl
InChi [?]:
InChI=1/C16H13ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,8,7,10,2,14,9,11,6,12,3,20,13,5,4/E:(3,4)(5,6)/rA:20cCCCONCCCCCCCNCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s2d12;s12;s14;d15;s16;d17;d14s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.30711
Area:457.155
Solvation:-2.12176
Coulombic:-29.4823
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.74
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):3.78

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