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Chemical ID: 5108540

C=CCc1cccc2c1oc(=O)c(c2)C(=O)NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]

Chemical ID:

5108540

Name [?]:

8-allyl-N'-(2,4-dinitrophenyl)-2-oxo-chromene-3-carbohydrazide

SMILES [?]:

C=CCc1cccc2c1oc(=O)c(c2)C(=O)NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]

InChi [?]:

InChI=1/C19H14N4O7/c1-2-4-11-5-3-6-12-9-14(19(25)30-17(11)12)18(24)21-20-15-8-7-13(22(26)27)10-16(15)23(28)29/h2-3,5-10,20H,1,4H2,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,7,21,20,14,23,4,8,22,13,19,24,9,15,11,18,17,28,25,16,12,29,30,26,27,10/E:(26,27)(28,29)/CRV:22.5,23.5/rA:30nCCCCCCCCCOCOCCCONNCCCCCCN+OO-N+OO-/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s8d13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s22;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄N₄O₇
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.67867
Area:	627.06
Solvation:	-17.3552
Coulombic:	-63.6277

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.337
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	4.3
LogP (Chemaxon):	4.28

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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