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Chemical ID: 6498254

Chemical ID:

6498254

Name [?]:

2-(3,3-dimethyltetralin-1-ylidene)acetamide

SMILES [?]:

CC1(Cc2ccccc2C(=CC(=O)N)C1)C

InChi [?]:

InChI=1/C14H17NO/c1-14(2)8-10-5-3-4-6-12(10)11(9-14)7-13(15)16/h3-7H,8-9H2,1-2H3,(H2,15,16)

InChi Info:

AuxInfo=1/1/N:1,16,6,7,5,8,11,3,15,4,10,9,12,2,14,13/E:(1,2)/rA:16nCCCCCCCCCCCCONCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s2s10;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇NO
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.41104
Area:	375.437
Solvation:	-1.97487
Coulombic:	-27.1736

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	1
Chiral:	1
Rigid Segments:	2

Chemical Properties

Molecular Weight:	215.291
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.11
LogP (Chemaxon):	2.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value