Chemical ID: 6995773

c1ccc(c(c1)C(=O)NCCC(=O)NN=Cc2ccc(cc2)[N+](=O)[O-])Cl
Chemical ID:
6995773
Name [?]:
2-chloro-N-[2-[(4-nitrophenyl)methyleneaminocarbamoyl]ethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCC(=O)NN=Cc2ccc(cc2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C17H15ClN4O4/c18-15-4-2-1-3-14(15)17(24)19-10-9-16(23)21-20-11-12-5-7-13(8-6-12)22(25)26/h1-8,11H,9-10H2,(H,19,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,11,10,16,17,20,5,4,12,7,26,9,15,14,23,13,8,24,25/E:(5,6)(7,8)(25,26)/CRV:22.5/rA:26nCCCCCCCONCCCONNCCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN4O4
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.09632
Area:620.566
Solvation:-10.4178
Coulombic:-50.9847
Bond Count [?]
All:27
Single:17
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:374.778
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.72
LogP (Chemaxon):2.82

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Descriptor Annotations

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