Chemical ID: 7393014

CC1=CC2=NC(=O)C(=Cc3ccc(c(c3)Br)O)C(=N)N2O1
Chemical ID:
7393014
Name [?]:
4-[(3-bromo-4-hydroxy-phenyl)methylene]-5-imino-8-methyl-7-oxa-2,6-diazabicyclo[4.3.0]nona-1,8-dien-3-one
SMILES [?]:
CC1=CC2=NC(=O)C(=Cc3ccc(c(c3)Br)O)C(=N)N2O1
InChi [?]:
InChI=1/C14H10BrN3O3/c1-7-4-12-17-14(20)9(13(16)18(12)21-7)5-8-2-3-11(19)10(15)6-8/h2-6,16,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,9,15,2,10,8,14,13,4,18,6,16,19,5,20,17,7,21/rA:21nCCCCNCOCCCCCCCCBrOCNNO/rB:s1;d2;s3;d4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s8;w18;s4s18;s2s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrN3O3
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.61021
Area:467.209
Solvation:-4.07002
Coulombic:-48.4532
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:348.152
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.24
LogP (Chemaxon):1.91

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