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Chemical ID: 5712495

c1ccc(c(c1)CN2c3ccccc3C(=NNC(=O)c4ccc(cc4)[N+](=O)[O-])C2=O)Cl

Chemical ID:

5712495

Name [?]:

N-[1-[(2-chlorophenyl)methyl]-2-oxo-indolin-3-ylidene]amino-4-nitro-benzamide

SMILES [?]:

c1ccc(c(c1)CN2c3ccccc3C(=NNC(=O)c4ccc(cc4)[N+](=O)[O-])C2=O)Cl

InChi [?]:

InChI=1/C22H15ClN4O4/c23-18-7-3-1-5-15(18)13-26-19-8-4-2-6-17(19)20(22(26)29)24-25-21(28)14-9-11-16(12-10-14)27(30)31/h1-12H,13H2,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,12,2,11,6,13,3,10,21,25,22,24,7,20,5,23,14,4,9,15,18,29,31,16,17,8,26,19,30,27,28/E:(9,10)(11,12)(30,31)/CRV:27.5/rA:31nCCCCCCCNCCCCCCCNNCOCCCCCCN+OO-COCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;d26;s26;s8s15;d29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅ClN₄O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	5.13416
Area:	628.585
Solvation:	-10.5805
Coulombic:	-49.4125

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	434.832
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.1
LogP (Chemaxon):	4.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value